
 142569-99-1

247251  0  0  0  0  0  0  0  0999 V2000
    8.4498    0.7686   -7.7485 C   0  0  0  0  0
    9.0249    2.0040   -8.4299 C   0  0  0  0  0
    9.0597    3.2726   -7.5373 C   0  0  0  0  0
    9.8924    3.0083   -6.2766 C   0  0  0  0  0
    9.5671    4.4966   -8.3699 C   0  0  0  0  0
    8.5116    4.9220   -9.4151 C   0  0  0  0  0
    8.5860    4.4617  -10.5652 O   0  0  0  0  0
    7.3983    5.6561   -9.2023 N   0  0  0  0  0
    6.7842    6.4841   -8.1469 C   0  0  0  0  0
    6.3084    5.7237   -6.8738 C   0  0  0  0  0
    7.2107    5.8443   -5.6463 C   0  0  0  0  0
    4.8729    6.1882   -6.5012 C   0  0  0  0  0
    4.2220    5.3950   -5.3753 C   0  0  0  0  0
    7.6143    7.7730   -7.9893 C   0  0  0  0  0
    8.6087    7.8059   -7.2521 O   0  0  0  0  0
    7.4105    8.8655   -8.7805 N   0  0  0  0  0
    6.3576    9.2545   -9.7486 C   0  0  0  0  0
    6.1083    8.2811  -10.9076 C   0  0  0  0  0
    5.2666    8.8647  -12.0044 C   0  0  0  0  0
    3.8923    8.7573  -12.1145 C   0  0  0  0  0
    3.4977    9.4131  -13.2490 N   0  0  0  0  0
    4.5886    9.9475  -13.8912 C   0  0  0  0  0
    4.6587   10.6862  -15.0785 C   0  0  0  0  0
    5.9217   11.0974  -15.5116 C   0  0  0  0  0
    7.0664   10.7800  -14.7849 C   0  0  0  0  0
    6.9785   10.0415  -13.5982 C   0  0  0  0  0
    5.7157    9.6157  -13.1377 C   0  0  0  0  0
    5.0655    9.5867   -9.0061 C   0  0  0  0  0
    4.4560    8.8457   -8.2507 O   0  0  0  0  0
    4.6453   10.8510   -9.2073 O   0  0  0  0  0
   10.1180    5.5895   -7.5644 N   0  0  0  0  0
   11.4715    5.6853   -7.3230 C   0  0  0  0  0
   12.2906    4.9221   -7.8392 O   0  0  0  0  0
   11.9152    6.6979   -6.2326 C   0  0  0  0  0
   11.5309    6.0605   -4.8988 C   0  0  0  0  0
   12.0587    6.8100   -3.7250 C   0  0  0  0  0
   13.0657    6.5344   -3.0954 O   0  0  0  0  0
   11.3237    7.9053   -3.4479 O   0  0  0  0  0
   13.3751    6.8018   -6.4045 N   0  0  0  0  0
   14.1737    7.8597   -6.6958 C   0  0  0  0  0
   15.1837    7.6355   -7.3714 O   0  0  0  0  0
   13.8723    9.3089   -6.2585 C   0  0  0  0  0
   12.9565   10.0285   -7.2609 C   0  0  0  0  0
   13.0009   11.5684   -7.1187 C   0  0  0  0  0
   14.3001   12.1608   -7.6724 C   0  0  0  0  0
   11.8085   12.2012   -7.8393 C   0  0  0  0  0
   13.3390    9.4160   -4.9005 N   0  0  0  0  0
   13.9605    9.5290   -3.6896 C   0  0  0  0  0
   13.2185    9.5468   -2.6967 O   0  0  0  0  0
   15.4867    9.6942   -3.5327 C   0  0  0  0  0
   16.2743    8.5444   -4.1673 C   0  0  0  0  0
   17.5537    8.2179   -3.4667 C   0  0  0  0  0
   18.3514    7.1067   -3.6438 C   0  0  0  0  0
   19.4159    7.2839   -2.8061 N   0  0  0  0  0
   19.2326    8.4709   -2.1588 C   0  0  0  0  0
   18.1103    9.0522   -2.5233 N   0  0  0  0  0
   15.8322   11.0190   -4.0614 N   0  0  0  0  0
   15.9754   12.1921   -3.3914 C   0  0  0  0  0
   15.6977   13.2218   -4.0181 O   0  0  0  0  0
   16.5620   12.2908   -1.9694 C   0  0  0  0  0
   15.7500   11.6502   -0.8555 C   0  0  0  0  0
   17.9401   11.8034   -1.9845 N   0  0  0  0  0
   19.1116   12.4780   -2.1517 C   0  0  0  0  0
   20.1007   11.8409   -2.5301 O   0  0  0  0  0
   19.2356   14.0036   -1.9475 C   0  0  0  0  0
   18.8881   14.7174   -3.2674 C   0  0  0  0  0
   19.2804   16.1785   -3.2429 C   0  0  0  0  0
   20.6167   16.5562   -3.4357 C   0  0  0  0  0
   20.9874   17.9002   -3.3714 C   0  0  0  0  0
   20.0283   18.8776   -3.1139 C   0  0  0  0  0
   18.6965   18.5132   -2.9260 C   0  0  0  0  0
   18.3224   17.1703   -2.9919 C   0  0  0  0  0
   18.4322   14.5009   -0.8283 N   0  0  0  0  0
   18.5577   14.4966    0.5116 C   0  0  0  0  0
   17.5817   14.9827    1.1056 O   0  0  0  0  0
   19.7649   13.9809    1.3453 C   0  0  0  0  0
   21.0202   13.4932    0.6231 C   0  0  0  0  0
   21.9868   12.7417    1.5164 C   0  0  0  0  0
   21.7025   11.4256    1.9175 C   0  0  0  0  0
   22.5979   10.7167    2.7221 C   0  0  0  0  0
   23.7885   11.3177    3.1152 C   0  0  0  0  0
   24.0870   12.6179    2.7283 C   0  0  0  0  0
   23.1854   13.3327    1.9349 C   0  0  0  0  0
   24.6955   10.6487    3.8872 O   0  0  0  0  0
   20.0805   15.1179    2.2370 N   0  0  0  0  0
   19.5273   15.4173    3.4528 C   0  0  0  0  0
   19.4339   16.6090    3.7627 O   0  0  0  0  0
   19.1991   14.3173    4.4914 C   0  0  0  0  0
   18.0135   13.3843    4.1527 C   0  0  0  0  0
   18.3015   11.8966    4.3680 C   0  0  0  0  0
   16.7815   13.7804    4.9817 C   0  0  0  0  0
   20.4790   13.6498    4.7534 N   0  0  0  0  0
   21.3975   14.0942    5.6684 C   0  0  0  0  0
   22.5809   14.1535    5.3301 O   0  0  0  0  0
   20.9726   14.5263    7.0897 C   0  0  0  0  0
   20.6512   16.0121    7.1775 C   0  0  0  0  0
   19.8813   13.6981    7.6086 N   0  0  0  0  0
   19.9233   12.4513    8.1587 C   0  0  0  0  0
   18.8768   11.7964    8.1623 O   0  0  0  0  0
   21.2117   11.8499    8.7734 C   0  0  0  0  0
   22.2533   11.5696    7.6883 C   0  0  0  0  0
   23.2262   10.4485    8.0421 C   0  0  0  0  0
   24.0593   10.1595    6.8249 C   0  0  0  0  0
   23.8134    9.3164    5.9768 O   0  0  0  0  0
   25.0536   11.0547    6.6680 O   0  0  0  0  0
   21.7059   12.7449    9.8191 N   0  0  0  0  0
   21.0787   13.0324   10.9987 C   0  0  0  0  0
   21.1265   14.2087   11.3719 O   0  0  0  0  0
   20.4990   11.9465   11.9369 C   0  0  0  0  0
   19.3778   11.0812   11.3696 C   0  0  0  0  0
   18.5560   10.4065   12.4683 C   0  0  0  0  0
   17.3958    9.6608   11.8726 C   0  0  0  0  0
   16.2203    9.9709   11.9607 O   0  0  0  0  0
   17.7753    8.5717   11.1792 O   0  0  0  0  0
   21.6406   11.1550   12.3941 N   0  0  0  0  0
   22.5142   11.4505   13.4050 C   0  0  0  0  0
   23.6662   11.0219   13.2919 O   0  0  0  0  0
   22.1062   12.2823   14.6425 C   0  0  0  0  0
   21.9429   13.7629   14.3325 C   0  0  0  0  0
   22.2986   14.5812   15.5342 C   0  0  0  0  0
   21.5181   15.0182   16.3626 O   0  0  0  0  0
   23.6215   14.7847   15.6583 O   0  0  0  0  0
   20.9084   11.6982   15.2516 N   0  0  0  0  0
   20.8540   10.6310   16.0963 C   0  0  0  0  0
   19.7646   10.0870   16.2820 O   0  0  0  0  0
   22.0936   10.1825   16.8289 C   0  0  0  0  0
   22.3446   11.0804   18.0272 C   0  0  0  0  0
   23.6085   10.6724   18.7179 C   0  0  0  0  0
   23.7257    9.7931   19.5530 O   0  0  0  0  0
   24.6808   11.3611   18.2840 O   0  0  0  0  0
    8.3284   -0.0377   -8.4794 H   0  0  0  0  0
    7.4698    0.9800   -7.3102 H   0  0  0  0  0
    9.1126    0.3936   -6.9633 H   0  0  0  0  0
    8.4152    2.1975   -9.3188 H   0  0  0  0  0
   10.0368    1.7717   -8.7847 H   0  0  0  0  0
    8.0350    3.4668   -7.2096 H   0  0  0  0  0
   10.9362    2.7915   -6.5240 H   0  0  0  0  0
    9.4982    2.1646   -5.7027 H   0  0  0  0  0
    9.8626    3.8621   -5.5975 H   0  0  0  0  0
   10.4061    4.1343   -8.9804 H   0  0  0  0  0
    6.8816    5.6597  -10.0749 H   0  0  0  0  0
    5.8584    6.7954   -8.6308 H   0  0  0  0  0
    6.2247    4.6611   -7.1317 H   0  0  0  0  0
    7.2085    6.8614   -5.2411 H   0  0  0  0  0
    8.2356    5.5621   -5.8647 H   0  0  0  0  0
    6.8812    5.1710   -4.8485 H   0  0  0  0  0
    4.2241    6.0961   -7.3813 H   0  0  0  0  0
    4.8880    7.2479   -6.2207 H   0  0  0  0  0
    4.2544    4.3206   -5.5795 H   0  0  0  0  0
    3.1722    5.6891   -5.2718 H   0  0  0  0  0
    4.7081    5.5853   -4.4142 H   0  0  0  0  0
    8.0621    9.6076   -8.5511 H   0  0  0  0  0
    6.7351   10.1956  -10.1715 H   0  0  0  0  0
    5.5940    7.3790  -10.5656 H   0  0  0  0  0
    7.0678    7.9516  -11.3252 H   0  0  0  0  0
    3.1609    8.2647  -11.4867 H   0  0  0  0  0
    2.5456    9.4893  -13.5802 H   0  0  0  0  0
    3.7691   10.9302  -15.6500 H   0  0  0  0  0
    6.0108   11.6695  -16.4326 H   0  0  0  0  0
    8.0399   11.1045  -15.1446 H   0  0  0  0  0
    7.8819    9.7954  -13.0488 H   0  0  0  0  0
    3.8265   10.9352   -8.6750 H   0  0  0  0  0
    9.5247    6.3715   -7.2926 H   0  0  0  0  0
   11.4412    7.6664   -6.3955 H   0  0  0  0  0
   11.9129    5.0340   -4.8255 H   0  0  0  0  0
   10.4425    5.9867   -4.7931 H   0  0  0  0  0
   11.8417    8.3792   -2.7425 H   0  0  0  0  0
   13.7724    5.9552   -6.8174 H   0  0  0  0  0
   14.8474    9.7965   -6.2639 H   0  0  0  0  0
   11.9237    9.6894   -7.1184 H   0  0  0  0  0
   13.2315    9.7505   -8.2864 H   0  0  0  0  0
   12.9253   11.8382   -6.0580 H   0  0  0  0  0
   14.4165   11.9337   -8.7375 H   0  0  0  0  0
   15.1801   11.7773   -7.1501 H   0  0  0  0  0
   14.3060   13.2504   -7.5585 H   0  0  0  0  0
   11.8205   11.9688   -8.9092 H   0  0  0  0  0
   11.8218   13.2909   -7.7276 H   0  0  0  0  0
   10.8641   11.8373   -7.4211 H   0  0  0  0  0
   12.3349    9.3060   -4.7996 H   0  0  0  0  0
   15.6565    9.6805   -2.4584 H   0  0  0  0  0
   16.5271    8.7773   -5.2073 H   0  0  0  0  0
   15.6623    7.6339   -4.1714 H   0  0  0  0  0
   18.2596    6.2403   -4.2844 H   0  0  0  0  0
   20.2054    6.6624   -2.6945 H   0  0  0  0  0
   19.9494    8.8620   -1.4482 H   0  0  0  0  0
   15.5004   11.2168   -4.9946 H   0  0  0  0  0
   16.5588   13.3613   -1.7687 H   0  0  0  0  0
   16.0110   10.6014   -0.6888 H   0  0  0  0  0
   14.6752   11.7241   -1.0461 H   0  0  0  0  0
   15.9600   12.1579    0.0936 H   0  0  0  0  0
   18.0409   10.8136   -2.2359 H   0  0  0  0  0
   20.2810   14.2117   -1.7090 H   0  0  0  0  0
   17.8176   14.6362   -3.4834 H   0  0  0  0  0
   19.3978   14.2323   -4.1102 H   0  0  0  0  0
   21.3787   15.8065   -3.6384 H   0  0  0  0  0
   22.0253   18.1857   -3.5229 H   0  0  0  0  0
   20.3176   19.9240   -3.0623 H   0  0  0  0  0
   17.9479   19.2761   -2.7273 H   0  0  0  0  0
   17.2770   16.9074   -2.8450 H   0  0  0  0  0
   17.5767   14.9799   -1.0868 H   0  0  0  0  0
   19.3762   13.1524    1.9374 H   0  0  0  0  0
   21.5386   14.3298    0.1388 H   0  0  0  0  0
   20.7531   12.7847   -0.1615 H   0  0  0  0  0
   20.7858   10.9359    1.5944 H   0  0  0  0  0
   22.3601    9.6993    3.0188 H   0  0  0  0  0
   25.0138   13.0839    3.0503 H   0  0  0  0  0
   23.4327   14.3524    1.6478 H   0  0  0  0  0
   24.2691    9.8170    4.1906 H   0  0  0  0  0
   20.2630   15.9867    1.7443 H   0  0  0  0  0
   18.9265   14.8723    5.3888 H   0  0  0  0  0
   17.7067   13.5176    3.1147 H   0  0  0  0  0
   18.5657   11.6850    5.4084 H   0  0  0  0  0
   19.1192   11.5523    3.7284 H   0  0  0  0  0
   17.4207   11.2939    4.1202 H   0  0  0  0  0
   16.9545   13.6298    6.0526 H   0  0  0  0  0
   15.9110   13.1804    4.6951 H   0  0  0  0  0
   16.5269   14.8334    4.8204 H   0  0  0  0  0
   20.9757   13.3864    3.9071 H   0  0  0  0  0
   21.8520   14.3606    7.7115 H   0  0  0  0  0
   19.7055   16.2753    6.6987 H   0  0  0  0  0
   21.4398   16.6105    6.7091 H   0  0  0  0  0
   20.5701   16.3182    8.2265 H   0  0  0  0  0
   18.9552   13.9016    7.2552 H   0  0  0  0  0
   20.9370   10.9010    9.2320 H   0  0  0  0  0
   22.8440   12.4654    7.4726 H   0  0  0  0  0
   21.7417   11.3016    6.7538 H   0  0  0  0  0
   22.6987    9.5292    8.3201 H   0  0  0  0  0
   23.8757   10.7187    8.8821 H   0  0  0  0  0
   25.3546   10.9746    5.7316 H   0  0  0  0  0
   22.1227   13.6017    9.4771 H   0  0  0  0  0
   20.0841   12.4963   12.7837 H   0  0  0  0  0
   19.7725   10.2937   10.7221 H   0  0  0  0  0
   18.7084   11.7006   10.7623 H   0  0  0  0  0
   18.1530   11.1516   13.1636 H   0  0  0  0  0
   19.1598    9.7078   13.0573 H   0  0  0  0  0
   16.9320    8.2013   10.8418 H   0  0  0  0  0
   22.1196   10.6306   11.6698 H   0  0  0  0  0
   22.9305   12.1611   15.3537 H   0  0  0  0  0
   20.9189   14.0303   14.0530 H   0  0  0  0  0
   22.5964   14.0795   13.5119 H   0  0  0  0  0
   23.7103   15.3279   16.4704 H   0  0  0  0  0
   20.0074   11.8854   14.8300 H   0  0  0  0  0
   22.9524   10.1543   16.1508 H   0  0  0  0  0
   21.9436    9.1455   17.1542 H   0  0  0  0  0
   21.5223   11.0166   18.7496 H   0  0  0  0  0
   22.4135   12.1371   17.7448 H   0  0  0  0  0
   25.4294   10.9772   18.7885 H   0  0  0  0  0
  1  2  1  0  0  0
  1131  1  0  0  0
  1132  1  0  0  0
  1133  1  0  0  0
  2  3  1  0  0  0
  2134  1  0  0  0
  2135  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3136  1  0  0  0
  4137  1  0  0  0
  4138  1  0  0  0
  4139  1  0  0  0
  5 31  1  0  0  0
  5  6  1  0  0  0
  5140  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8141  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
  9142  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 10143  1  0  0  0
 11144  1  0  0  0
 11145  1  0  0  0
 11146  1  0  0  0
 12 13  1  0  0  0
 12147  1  0  0  0
 12148  1  0  0  0
 13149  1  0  0  0
 13150  1  0  0  0
 13151  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16152  1  0  0  0
 17 28  1  0  0  0
 17 18  1  0  0  0
 17153  1  0  0  0
 18 19  1  0  0  0
 18154  1  0  0  0
 18155  1  0  0  0
 19 27  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20156  1  0  0  0
 21 22  1  0  0  0
 21157  1  0  0  0
 22 27  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 23158  1  0  0  0
 24 25  2  0  0  0
 24159  1  0  0  0
 25 26  1  0  0  0
 25160  1  0  0  0
 26 27  2  0  0  0
 26161  1  0  0  0
 28 30  1  0  0  0
 28 29  2  0  0  0
 30162  1  0  0  0
 31 32  1  0  0  0
 31163  1  0  0  0
 32 34  1  0  0  0
 32 33  2  0  0  0
 34 39  1  0  0  0
 34 35  1  0  0  0
 34164  1  0  0  0
 35 36  1  0  0  0
 35165  1  0  0  0
 35166  1  0  0  0
 36 38  1  0  0  0
 36 37  2  0  0  0
 38167  1  0  0  0
 39 40  1  0  0  0
 39168  1  0  0  0
 40 42  1  0  0  0
 40 41  2  0  0  0
 42 47  1  0  0  0
 42 43  1  0  0  0
 42169  1  0  0  0
 43 44  1  0  0  0
 43170  1  0  0  0
 43171  1  0  0  0
 44 46  1  0  0  0
 44 45  1  0  0  0
 44172  1  0  0  0
 45173  1  0  0  0
 45174  1  0  0  0
 45175  1  0  0  0
 46176  1  0  0  0
 46177  1  0  0  0
 46178  1  0  0  0
 47 48  1  0  0  0
 47179  1  0  0  0
 48 50  1  0  0  0
 48 49  2  0  0  0
 50 57  1  0  0  0
 50 51  1  0  0  0
 50180  1  0  0  0
 51 52  1  0  0  0
 51181  1  0  0  0
 51182  1  0  0  0
 52 53  2  0  0  0
 52 56  1  0  0  0
 53 54  1  0  0  0
 53183  1  0  0  0
 54 55  1  0  0  0
 54184  1  0  0  0
 55 56  2  0  0  0
 55185  1  0  0  0
 57 58  1  0  0  0
 57186  1  0  0  0
 58 60  1  0  0  0
 58 59  2  0  0  0
 60 62  1  0  0  0
 60 61  1  0  0  0
 60187  1  0  0  0
 61188  1  0  0  0
 61189  1  0  0  0
 61190  1  0  0  0
 62 63  1  0  0  0
 62191  1  0  0  0
 63 65  1  0  0  0
 63 64  2  0  0  0
 65 73  1  0  0  0
 65 66  1  0  0  0
 65192  1  0  0  0
 66 67  1  0  0  0
 66193  1  0  0  0
 66194  1  0  0  0
 67 68  2  0  0  0
 67 72  1  0  0  0
 68 69  1  0  0  0
 68195  1  0  0  0
 69 70  2  0  0  0
 69196  1  0  0  0
 70 71  1  0  0  0
 70197  1  0  0  0
 71 72  2  0  0  0
 71198  1  0  0  0
 72199  1  0  0  0
 73 74  1  0  0  0
 73200  1  0  0  0
 74 76  1  0  0  0
 74 75  2  0  0  0
 76 85  1  0  0  0
 76 77  1  0  0  0
 76201  1  0  0  0
 77 78  1  0  0  0
 77202  1  0  0  0
 77203  1  0  0  0
 78 79  2  0  0  0
 78 83  1  0  0  0
 79 80  1  0  0  0
 79204  1  0  0  0
 80 81  2  0  0  0
 80205  1  0  0  0
 81 82  1  0  0  0
 81 84  1  0  0  0
 82 83  2  0  0  0
 82206  1  0  0  0
 83207  1  0  0  0
 84208  1  0  0  0
 85 86  1  0  0  0
 85209  1  0  0  0
 86 88  1  0  0  0
 86 87  2  0  0  0
 88 92  1  0  0  0
 88 89  1  0  0  0
 88210  1  0  0  0
 89 91  1  0  0  0
 89 90  1  0  0  0
 89211  1  0  0  0
 90212  1  0  0  0
 90213  1  0  0  0
 90214  1  0  0  0
 91215  1  0  0  0
 91216  1  0  0  0
 91217  1  0  0  0
 92 93  1  0  0  0
 92218  1  0  0  0
 93 95  1  0  0  0
 93 94  2  0  0  0
 95 97  1  0  0  0
 95 96  1  0  0  0
 95219  1  0  0  0
 96220  1  0  0  0
 96221  1  0  0  0
 96222  1  0  0  0
 97 98  1  0  0  0
 97223  1  0  0  0
 98100  1  0  0  0
 98 99  2  0  0  0
100106  1  0  0  0
100101  1  0  0  0
100224  1  0  0  0
101102  1  0  0  0
101225  1  0  0  0
101226  1  0  0  0
102103  1  0  0  0
102227  1  0  0  0
102228  1  0  0  0
103105  1  0  0  0
103104  2  0  0  0
105229  1  0  0  0
106107  1  0  0  0
106230  1  0  0  0
107109  1  0  0  0
107108  2  0  0  0
109115  1  0  0  0
109110  1  0  0  0
109231  1  0  0  0
110111  1  0  0  0
110232  1  0  0  0
110233  1  0  0  0
111112  1  0  0  0
111234  1  0  0  0
111235  1  0  0  0
112114  1  0  0  0
112113  2  0  0  0
114236  1  0  0  0
115116  1  0  0  0
115237  1  0  0  0
116118  1  0  0  0
116117  2  0  0  0
118123  1  0  0  0
118119  1  0  0  0
118238  1  0  0  0
119120  1  0  0  0
119239  1  0  0  0
119240  1  0  0  0
120122  1  0  0  0
120121  2  0  0  0
122241  1  0  0  0
123124  1  0  0  0
123242  1  0  0  0
124126  1  0  0  0
124125  2  0  0  0
126127  1  0  0  0
126243  1  0  0  0
126244  1  0  0  0
127128  1  0  0  0
127245  1  0  0  0
127246  1  0  0  0
128130  1  0  0  0
128129  2  0  0  0
130247  1  0  0  0
M  END

>  <Chemical Name>
142569-99-1

>  <PubChem CID>
16133819

>  <Formula>
C86H117N17O27

>  <Molecular Weight>
1820.974000

>  <IUPAC Name>


>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
23

>  <Hydrogen Bond Acceptors>
28

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CNC=N3)NC(=O)C(C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)CCC(=O)O

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CNC=N3)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCC(=O)O

>  <InChI Std. ID>
InChI=1S/C86H117N17O27/c1-11-44(7)71(84(127)100-63(86(129)130)35-50-39-88-54-21-17-16-20-53(50)54)103-85(128)72(45(8)12-2)102-82(125)62(38-69(114)115)98-78(121)57(32-42(3)4)96-80(123)60(36-51-40-87-41-89-51)95-73(116)46(9)91-77(120)58(33-48-18-14-13-15-19-48)97-79(122)59(34-49-22-24-52(104)25-23-49)99-83(126)70(43(5)6)101-74(117)47(10)90-75(118)55(26-29-65(106)107)93-76(119)56(27-30-66(108)109)94-81(124)61(37-68(112)113)92-64(105)28-31-67(110)111/h13-25,39-47,55-63,70-72,88,104H,11-12,26-38H2,1-10H3,(H,87,89)(H,90,118)(H,91,120)(H,92,105)(H,93,119)(H,94,124)(H,95,116)(H,96,123)(H,97,122)(H,98,121)(H,99,126)(H,100,127)(H,101,117)(H,102,125)(H,103,128)(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,129,130)/t44-,45-,46-,47-,55-,56-,57-,58-,59-,60-,61-,62-,63-,70-,71-,72-/m0/s1

>  <InChI Key>
DXPHNGAMYPPTBJ-TZMIJSMNSA-N

