
 CID 16151595

216221  0  0  0  0  0  0  0  0999 V2000
   -6.9028   18.9626    5.2314 C   0  0  0  0  0
   -6.8269   17.6537    4.4619 C   0  0  0  0  0
   -5.4216   17.4058    3.9118 C   0  0  0  0  0
   -5.3691   16.1152    3.0861 C   0  0  0  0  0
   -4.0805   15.9965    2.2555 C   0  0  0  0  0
   -2.8294   15.8080    3.1281 C   0  0  0  0  0
   -2.0877   16.7784    3.3236 O   0  0  0  0  0
   -2.5610   14.6731    3.8138 N   0  0  0  0  0
   -3.1840   13.3553    3.8108 C   0  0  0  0  0
   -2.0698   12.3003    3.8369 C   0  0  0  0  0
   -0.9635   12.5224    3.3386 O   0  0  0  0  0
   -2.2537   11.0695    4.3840 N   0  0  0  0  0
   -3.3324   10.5079    5.2150 C   0  0  0  0  0
   -3.6659   11.3407    6.4624 C   0  0  0  0  0
   -3.7282   10.5087    7.6998 C   0  0  0  0  0
   -2.6935   10.0985    8.5141 C   0  0  0  0  0
   -3.2827    9.3563    9.4990 N   0  0  0  0  0
   -4.6282    9.3615    9.2665 C   0  0  0  0  0
   -4.9273   10.0356    8.1788 N   0  0  0  0  0
   -4.5681   10.2695    4.3352 C   0  0  0  0  0
   -5.1831   11.2145    3.8283 O   0  0  0  0  0
   -4.9837    9.0160    4.0054 N   0  0  0  0  0
   -4.4139    7.6810    4.2719 C   0  0  0  0  0
   -3.0431    7.4802    3.5998 C   0  0  0  0  0
   -2.7276    6.0194    3.3591 C   0  0  0  0  0
   -1.9528    5.2947    4.2762 C   0  0  0  0  0
   -1.6748    3.9311    4.0783 C   0  0  0  0  0
   -0.8980    3.2008    4.9926 C   0  0  0  0  0
   -0.6288    1.8472    4.7809 C   0  0  0  0  0
   -1.1337    1.2055    3.6540 C   0  0  0  0  0
   -1.9092    1.9164    2.7366 C   0  0  0  0  0
   -2.1877    3.2789    2.9350 C   0  0  0  0  0
   -2.9644    4.0075    2.0222 C   0  0  0  0  0
   -3.2323    5.3622    2.2320 C   0  0  0  0  0
   -4.4034    7.3968    5.7863 C   0  0  0  0  0
   -3.3511    7.3574    6.4324 O   0  0  0  0  0
   -5.5637    7.2521    6.4884 N   0  0  0  0  0
   -6.8861    6.7641    6.0742 C   0  0  0  0  0
   -7.6040    7.6211    5.0265 C   0  0  0  0  0
   -9.1215    7.3969    5.0648 C   0  0  0  0  0
   -9.8377    8.2563    4.0241 C   0  0  0  0  0
  -11.2744    8.0744    4.1093 N   0  0  0  0  0
  -12.0643    8.6207    5.0587 C   0  0  0  0  0
  -11.7984    9.5587    5.8875 N   0  0  0  0  0
  -13.2919    8.0682    5.0602 N   0  0  0  0  0
   -6.6842    5.2984    5.6536 C   0  0  0  0  0
   -6.5091    4.9926    4.4698 O   0  0  0  0  0
   -6.5220    4.3044    6.5783 N   0  0  0  0  0
   -7.1243    4.1455    7.9193 C   0  0  0  0  0
   -6.6827    5.1729    8.9738 C   0  0  0  0  0
   -7.1259    4.8193   10.3760 C   0  0  0  0  0
   -6.3902    3.9192   11.1562 C   0  0  0  0  0
   -6.8199    3.5850   12.4421 C   0  0  0  0  0
   -7.9854    4.1470   12.9599 C   0  0  0  0  0
   -8.7255    5.0423   12.1916 C   0  0  0  0  0
   -8.2996    5.3760   10.9055 C   0  0  0  0  0
   -8.6455    4.1005    7.7041 C   0  0  0  0  0
   -9.3057    5.1438    7.6482 O   0  0  0  0  0
   -9.2967    2.9488    7.3748 N   0  0  0  0  0
   -8.9182    1.5240    7.4535 C   0  0  0  0  0
   -7.6514    1.1354    6.7036 C   0  0  0  0  0
   -7.7147   -0.3327    6.3993 C   0  0  0  0  0
   -7.5112   -1.2402    7.1876 O   0  0  0  0  0
   -8.0942   -0.5811    5.1332 O   0  0  0  0  0
   -8.8519    1.1408    8.9387 C   0  0  0  0  0
   -7.8491    1.3970    9.6106 O   0  0  0  0  0
   -9.9310    0.6299    9.5947 N   0  0  0  0  0
  -11.1733    0.0081    9.1066 C   0  0  0  0  0
  -12.0821    0.9648    8.3204 C   0  0  0  0  0
  -13.5278    0.4549    8.2890 C   0  0  0  0  0
  -14.4265    1.3727    7.4598 C   0  0  0  0  0
  -15.8020    0.8984    7.4952 N   0  0  0  0  0
  -16.6133    1.1835    8.5410 C   0  0  0  0  0
  -16.2565    1.7865    9.6127 N   0  0  0  0  0
  -17.8652    0.7375    8.3211 N   0  0  0  0  0
  -10.7846   -1.2648    8.3282 C   0  0  0  0  0
  -10.6931   -1.2576    7.0951 O   0  0  0  0  0
  -10.3838   -2.4019    8.9651 N   0  0  0  0  0
  -10.7032   -2.9386   10.3015 C   0  0  0  0  0
  -10.3098   -2.0668   11.5027 C   0  0  0  0  0
  -10.2959   -2.8581   12.7928 C   0  0  0  0  0
   -9.1379   -3.5326   13.1997 C   0  0  0  0  0
   -9.1430   -4.3030   14.3634 C   0  0  0  0  0
  -10.3033   -4.4082   15.1283 C   0  0  0  0  0
  -11.4593   -3.7383   14.7344 C   0  0  0  0  0
  -11.4563   -2.9650   13.5733 C   0  0  0  0  0
  -12.2020   -3.2947   10.2885 C   0  0  0  0  0
  -13.0671   -2.4816   10.6232 O   0  0  0  0  0
  -12.6195   -4.4763    9.7422 N   0  0  0  0  0
  -11.8165   -5.6075    9.3126 C   0  0  0  0  0
  -11.5566   -6.5521   10.4819 C   0  0  0  0  0
  -10.6381   -6.3932   11.2781 O   0  0  0  0  0
  -12.4706   -7.5513   10.6526 N   0  0  0  0  0
   -4.2685   15.0130    1.1877 N   0  0  0  0  0
   -4.4875   15.2959   -0.1323 C   0  0  0  0  0
   -5.3670   14.6446   -0.7057 O   0  0  0  0  0
   -3.7109   16.4003   -0.9035 C   0  0  0  0  0
   -4.5472   17.6836   -1.1643 C   0  0  0  0  0
   -4.7501   18.6065    0.0344 C   0  0  0  0  0
   -3.9515   18.4983   -2.3206 C   0  0  0  0  0
   -2.3603   16.6418   -0.3933 N   0  0  0  0  0
   -1.1692   16.0720   -0.7510 C   0  0  0  0  0
   -0.2137   16.2529    0.0097 O   0  0  0  0  0
   -0.9596   15.3256   -2.0920 C   0  0  0  0  0
   -1.7042   13.9801   -2.1740 C   0  0  0  0  0
   -1.4881   13.2368   -3.4756 C   0  0  0  0  0
   -0.4071   12.3596   -3.6329 C   0  0  0  0  0
   -0.2071   11.6984   -4.8471 C   0  0  0  0  0
   -1.0803   11.9173   -5.9061 C   0  0  0  0  0
   -2.1586   12.7842   -5.7716 C   0  0  0  0  0
   -2.3612   13.4409   -4.5563 C   0  0  0  0  0
   -0.8418   11.2601   -7.0774 O   0  0  0  0  0
   -1.1967   16.2598   -3.2179 N   0  0  0  0  0
   -7.9210   19.1284    5.5972 H   0  0  0  0  0
   -6.6316   19.8095    4.5924 H   0  0  0  0  0
   -6.2280   18.9514    6.0928 H   0  0  0  0  0
   -7.5474   17.6886    3.6358 H   0  0  0  0  0
   -7.1239   16.8269    5.1168 H   0  0  0  0  0
   -4.7038   17.3473    4.7382 H   0  0  0  0  0
   -5.1277   18.2592    3.2891 H   0  0  0  0  0
   -6.2293   16.1029    2.4031 H   0  0  0  0  0
   -5.4868   15.2486    3.7475 H   0  0  0  0  0
   -3.9231   16.9552    1.7686 H   0  0  0  0  0
   -1.6681   14.7340    4.2943 H   0  0  0  0  0
   -3.7898   13.2078    2.9207 H   0  0  0  0  0
   -3.8057   13.3087    4.7032 H   0  0  0  0  0
   -1.4111   10.5099    4.3107 H   0  0  0  0  0
   -2.9212    9.5515    5.5286 H   0  0  0  0  0
   -4.6243   11.8616    6.3499 H   0  0  0  0  0
   -2.9045   12.1142    6.6245 H   0  0  0  0  0
   -1.6246   10.2535    8.4725 H   0  0  0  0  0
   -2.8133    8.8900   10.2634 H   0  0  0  0  0
   -5.3303    8.8564    9.9167 H   0  0  0  0  0
   -5.7572    9.0435    3.3528 H   0  0  0  0  0
   -5.1134    6.9809    3.8093 H   0  0  0  0  0
   -2.2306    7.9324    4.1794 H   0  0  0  0  0
   -3.0261    7.9942    2.6291 H   0  0  0  0  0
   -1.5638    5.7968    5.1613 H   0  0  0  0  0
   -0.4933    3.6856    5.8782 H   0  0  0  0  0
   -0.0226    1.2962    5.4951 H   0  0  0  0  0
   -0.9231    0.1526    3.4862 H   0  0  0  0  0
   -2.2943    1.3991    1.8608 H   0  0  0  0  0
   -3.3714    3.5229    1.1376 H   0  0  0  0  0
   -3.8425    5.8961    1.5069 H   0  0  0  0  0
   -5.3626    7.1785    7.4770 H   0  0  0  0  0
   -7.5012    6.8045    6.9698 H   0  0  0  0  0
   -7.2515    7.4031    4.0144 H   0  0  0  0  0
   -7.4097    8.6814    5.2279 H   0  0  0  0  0
   -9.4998    7.6361    6.0663 H   0  0  0  0  0
   -9.3491    6.3387    4.8860 H   0  0  0  0  0
   -9.5131    7.9595    3.0203 H   0  0  0  0  0
   -9.5750    9.3141    4.1366 H   0  0  0  0  0
  -11.5677    7.1326    3.8716 H   0  0  0  0  0
  -10.8394    9.8773    5.7511 H   0  0  0  0  0
  -13.7101    8.0603    4.1391 H   0  0  0  0  0
  -13.8806    8.5884    5.7050 H   0  0  0  0  0
   -6.2997    3.4391    6.1029 H   0  0  0  0  0
   -6.7804    3.1718    8.2662 H   0  0  0  0  0
   -7.0559    6.1774    8.7688 H   0  0  0  0  0
   -5.5881    5.2597    8.9643 H   0  0  0  0  0
   -5.4880    3.4554   10.7645 H   0  0  0  0  0
   -6.2500    2.8750   13.0357 H   0  0  0  0  0
   -8.3207    3.8814   13.9588 H   0  0  0  0  0
   -9.6386    5.4774   12.5898 H   0  0  0  0  0
   -8.8979    6.0697   10.3161 H   0  0  0  0  0
  -10.2886    3.1290    7.2677 H   0  0  0  0  0
   -9.7433    1.0029    6.9748 H   0  0  0  0  0
   -6.7253    1.3092    7.2581 H   0  0  0  0  0
   -7.5721    1.6827    5.7575 H   0  0  0  0  0
   -8.2073   -1.5545    5.0981 H   0  0  0  0  0
   -9.7303    0.5144   10.5812 H   0  0  0  0  0
  -11.7261   -0.2816   10.0002 H   0  0  0  0  0
  -11.7479    1.0957    7.2882 H   0  0  0  0  0
  -12.0656    1.9561    8.7907 H   0  0  0  0  0
  -13.9056    0.3784    9.3154 H   0  0  0  0  0
  -13.5603   -0.5579    7.8684 H   0  0  0  0  0
  -14.0842    1.3630    6.4182 H   0  0  0  0  0
  -14.3636    2.4119    7.8037 H   0  0  0  0  0
  -16.2759    1.0063    6.6062 H   0  0  0  0  0
  -17.0580    1.8953   10.2338 H   0  0  0  0  0
  -17.8742   -0.1493    7.8308 H   0  0  0  0  0
  -18.4452    0.6951    9.1490 H   0  0  0  0  0
  -10.0904   -3.0951    8.2883 H   0  0  0  0  0
  -10.1211   -3.8630   10.3702 H   0  0  0  0  0
  -10.9845   -1.2187   11.6475 H   0  0  0  0  0
   -9.3117   -1.6403   11.3425 H   0  0  0  0  0
   -8.2266   -3.4733   12.6089 H   0  0  0  0  0
   -8.2432   -4.8311   14.6671 H   0  0  0  0  0
  -10.3072   -5.0169   16.0283 H   0  0  0  0  0
  -12.3660   -3.8227   15.3274 H   0  0  0  0  0
  -12.3712   -2.4539   13.2777 H   0  0  0  0  0
  -13.6217   -4.6036    9.8139 H   0  0  0  0  0
  -10.8611   -5.2843    8.8931 H   0  0  0  0  0
  -12.3721   -6.1299    8.5278 H   0  0  0  0  0
  -13.2964   -7.6624   10.0819 H   0  0  0  0  0
  -12.3575   -8.1519   11.4604 H   0  0  0  0  0
   -4.8330   14.2144    1.4548 H   0  0  0  0  0
   -3.5869   15.9493   -1.8905 H   0  0  0  0  0
   -5.5483   17.3662   -1.4873 H   0  0  0  0  0
   -3.8010   18.8921    0.4980 H   0  0  0  0  0
   -5.3933   18.1352    0.7812 H   0  0  0  0  0
   -5.2576   19.5301   -0.2667 H   0  0  0  0  0
   -2.9354   18.8367   -2.0927 H   0  0  0  0  0
   -4.5614   19.3839   -2.5299 H   0  0  0  0  0
   -3.9229   17.9048   -3.2399 H   0  0  0  0  0
   -2.2661   17.0908    0.5115 H   0  0  0  0  0
    0.1135   15.0917   -2.1341 H   0  0  0  0  0
   -2.7806   14.0850   -2.0257 H   0  0  0  0  0
   -1.3771   13.3412   -1.3422 H   0  0  0  0  0
    0.2886   12.1888   -2.8150 H   0  0  0  0  0
    0.6326   11.0206   -4.9683 H   0  0  0  0  0
   -2.8434   12.9671   -6.5929 H   0  0  0  0  0
   -3.1981   14.1286   -4.4586 H   0  0  0  0  0
   -1.5011   11.5506   -7.7282 H   0  0  0  0  0
   -2.1331   16.6421   -3.1678 H   0  0  0  0  0
   -0.5602   17.0510   -3.1102 H   0  0  0  0  0
  1  2  1  0  0  0
  1114  1  0  0  0
  1115  1  0  0  0
  1116  1  0  0  0
  2  3  1  0  0  0
  2117  1  0  0  0
  2118  1  0  0  0
  3  4  1  0  0  0
  3119  1  0  0  0
  3120  1  0  0  0
  4  5  1  0  0  0
  4121  1  0  0  0
  4122  1  0  0  0
  5 94  1  0  0  0
  5  6  1  0  0  0
  5123  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8124  1  0  0  0
  9 10  1  0  0  0
  9125  1  0  0  0
  9126  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12127  1  0  0  0
 13 20  1  0  0  0
 13 14  1  0  0  0
 13128  1  0  0  0
 14 15  1  0  0  0
 14129  1  0  0  0
 14130  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16131  1  0  0  0
 17 18  1  0  0  0
 17132  1  0  0  0
 18 19  2  0  0  0
 18133  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22134  1  0  0  0
 23 35  1  0  0  0
 23 24  1  0  0  0
 23135  1  0  0  0
 24 25  1  0  0  0
 24136  1  0  0  0
 24137  1  0  0  0
 25 34  1  0  0  0
 25 26  2  0  0  0
 26 27  1  0  0  0
 26138  1  0  0  0
 27 32  1  0  0  0
 27 28  2  0  0  0
 28 29  1  0  0  0
 28139  1  0  0  0
 29 30  2  0  0  0
 29140  1  0  0  0
 30 31  1  0  0  0
 30141  1  0  0  0
 31 32  2  0  0  0
 31142  1  0  0  0
 32 33  1  0  0  0
 33 34  2  0  0  0
 33143  1  0  0  0
 34144  1  0  0  0
 35 37  1  0  0  0
 35 36  2  0  0  0
 37 38  1  0  0  0
 37145  1  0  0  0
 38 46  1  0  0  0
 38 39  1  0  0  0
 38146  1  0  0  0
 39 40  1  0  0  0
 39147  1  0  0  0
 39148  1  0  0  0
 40 41  1  0  0  0
 40149  1  0  0  0
 40150  1  0  0  0
 41 42  1  0  0  0
 41151  1  0  0  0
 41152  1  0  0  0
 42 43  1  0  0  0
 42153  1  0  0  0
 43 45  1  0  0  0
 43 44  2  0  0  0
 44154  1  0  0  0
 45155  1  0  0  0
 45156  1  0  0  0
 46 48  1  0  0  0
 46 47  2  0  0  0
 48 49  1  0  0  0
 48157  1  0  0  0
 49 57  1  0  0  0
 49 50  1  0  0  0
 49158  1  0  0  0
 50 51  1  0  0  0
 50159  1  0  0  0
 50160  1  0  0  0
 51 52  2  0  0  0
 51 56  1  0  0  0
 52 53  1  0  0  0
 52161  1  0  0  0
 53 54  2  0  0  0
 53162  1  0  0  0
 54 55  1  0  0  0
 54163  1  0  0  0
 55 56  2  0  0  0
 55164  1  0  0  0
 56165  1  0  0  0
 57 59  1  0  0  0
 57 58  2  0  0  0
 59 60  1  0  0  0
 59166  1  0  0  0
 60 65  1  0  0  0
 60 61  1  0  0  0
 60167  1  0  0  0
 61 62  1  0  0  0
 61168  1  0  0  0
 61169  1  0  0  0
 62 64  1  0  0  0
 62 63  2  0  0  0
 64170  1  0  0  0
 65 67  1  0  0  0
 65 66  2  0  0  0
 67 68  1  0  0  0
 67171  1  0  0  0
 68 76  1  0  0  0
 68 69  1  0  0  0
 68172  1  0  0  0
 69 70  1  0  0  0
 69173  1  0  0  0
 69174  1  0  0  0
 70 71  1  0  0  0
 70175  1  0  0  0
 70176  1  0  0  0
 71 72  1  0  0  0
 71177  1  0  0  0
 71178  1  0  0  0
 72 73  1  0  0  0
 72179  1  0  0  0
 73 75  1  0  0  0
 73 74  2  0  0  0
 74180  1  0  0  0
 75181  1  0  0  0
 75182  1  0  0  0
 76 78  1  0  0  0
 76 77  2  0  0  0
 78 79  1  0  0  0
 78183  1  0  0  0
 79 87  1  0  0  0
 79 80  1  0  0  0
 79184  1  0  0  0
 80 81  1  0  0  0
 80185  1  0  0  0
 80186  1  0  0  0
 81 82  2  0  0  0
 81 86  1  0  0  0
 82 83  1  0  0  0
 82187  1  0  0  0
 83 84  2  0  0  0
 83188  1  0  0  0
 84 85  1  0  0  0
 84189  1  0  0  0
 85 86  2  0  0  0
 85190  1  0  0  0
 86191  1  0  0  0
 87 89  1  0  0  0
 87 88  2  0  0  0
 89 90  1  0  0  0
 89192  1  0  0  0
 90 91  1  0  0  0
 90193  1  0  0  0
 90194  1  0  0  0
 91 93  1  0  0  0
 91 92  2  0  0  0
 93195  1  0  0  0
 93196  1  0  0  0
 94 95  1  0  0  0
 94197  1  0  0  0
 95 97  1  0  0  0
 95 96  2  0  0  0
 97101  1  0  0  0
 97 98  1  0  0  0
 97198  1  0  0  0
 98100  1  0  0  0
 98 99  1  0  0  0
 98199  1  0  0  0
 99200  1  0  0  0
 99201  1  0  0  0
 99202  1  0  0  0
100203  1  0  0  0
100204  1  0  0  0
100205  1  0  0  0
101102  1  0  0  0
101206  1  0  0  0
102104  1  0  0  0
102103  2  0  0  0
104113  1  0  0  0
104105  1  0  0  0
104207  1  0  0  0
105106  1  0  0  0
105208  1  0  0  0
105209  1  0  0  0
106107  2  0  0  0
106111  1  0  0  0
107108  1  0  0  0
107210  1  0  0  0
108109  2  0  0  0
108211  1  0  0  0
109110  1  0  0  0
109112  1  0  0  0
110111  2  0  0  0
110212  1  0  0  0
111213  1  0  0  0
112214  1  0  0  0
113215  1  0  0  0
113216  1  0  0  0
M  END

>  <Chemical Name>
CID 16151595

>  <PubChem CID>
16151595

>  <Formula>
C77H103N21O15

>  <Molecular Weight>
1562.803000

>  <IUPAC Name>
(3S)-3-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

>  <XlogP>
-0.3

>  <Hydrogen Bond Donors>
22

>  <Hydrogen Bond Acceptors>
19

>  <Canonical SMILES>
CCCCC(C(=O)NCC(=O)NC(CC1=CNC=N1)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC5=CC=CC=C5)C(=O)NCC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC6=CC=C(C=C6)O)N

>  <Isomeric SMILES>
CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)NCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC6=CC=C(C=C6)O)N

>  <InChI Std. ID>
InChI=1S/C77H103N21O15/c1-4-5-22-54(93-75(113)65(44(2)3)98-66(104)53(78)34-47-26-29-52(99)30-27-47)67(105)88-42-63(101)90-60(38-51-40-84-43-89-51)73(111)96-59(37-48-25-28-49-20-12-13-21-50(49)33-48)71(109)91-56(24-15-32-86-77(82)83)70(108)95-58(36-46-18-10-7-11-19-46)72(110)97-61(39-64(102)103)74(112)92-55(23-14-31-85-76(80)81)69(107)94-57(68(106)87-41-62(79)100)35-45-16-8-6-9-17-45/h6-13,16-21,25-30,33,40,43-44,53-61,65,99H,4-5,14-15,22-24,31-32,34-39,41-42,78H2,1-3H3,(H2,79,100)(H,84,89)(H,87,106)(H,88,105)(H,90,101)(H,91,109)(H,92,112)(H,93,113)(H,94,107)(H,95,108)(H,96,111)(H,97,110)(H,98,104)(H,102,103)(H4,80,81,85)(H4,82,83,86)/t53-,54-,55-,56-,57-,58+,59+,60-,61-,65-/m0/s1

>  <InChI Key>
AOMUTEUZPCRNFD-HQZHZNCASA-N

