
 CHEMBL384898

223229  0  0  0  0  0  0  0  0999 V2000
    4.1799    5.2679    3.7284 C   0  0  0  0  0
    5.0763    4.2400    3.0323 C   0  0  0  0  0
    5.9261    3.5110    4.0737 C   0  0  0  0  0
    4.2070    3.2744    2.1908 C   0  0  0  0  0
    5.0109    2.2961    1.3129 C   0  0  0  0  0
    5.1523    0.8968    1.9574 C   0  0  0  0  0
    6.2434    0.5803    2.4525 O   0  0  0  0  0
    4.1595   -0.0143    2.1142 N   0  0  0  0  0
    2.7823   -0.1888    1.6059 C   0  0  0  0  0
    1.8447    0.9800    1.9184 C   0  0  0  0  0
    0.3685    0.6543    1.6639 C   0  0  0  0  0
   -0.5083    1.8660    1.9956 C   0  0  0  0  0
   -1.9897    1.5753    1.7504 C   0  0  0  0  0
   -2.7754    2.7454    2.1384 N   0  0  0  0  0
   -4.2092    2.6060    1.8656 C   0  0  0  0  0
   -4.8824    1.5726    2.7709 C   0  0  0  0  0
   -4.8582    3.9762    2.0751 C   0  0  0  0  0
    2.8609   -0.5269    0.1045 C   0  0  0  0  0
    2.6181    0.3501   -0.7298 O   0  0  0  0  0
    3.3624   -1.7506   -0.2763 N   0  0  0  0  0
    3.7587   -1.9962   -1.6425 C   0  0  0  0  0
    4.8332   -3.0614   -1.5161 C   0  0  0  0  0
    4.6083   -3.7240   -0.1500 C   0  0  0  0  0
    3.4529   -2.9911    0.5031 C   0  0  0  0  0
    2.0239   -3.5912    0.5858 C   0  0  0  0  0
    1.1535   -2.9151    1.1669 O   0  0  0  0  0
    1.5347   -4.7369    0.0780 N   0  0  0  0  0
    1.9926   -5.9319   -0.6408 C   0  0  0  0  0
    2.6733   -5.6967   -1.9771 C   0  0  0  0  0
    2.7229   -6.9102    0.2971 C   0  0  0  0  0
    3.9329   -7.1031    0.2974 O   0  0  0  0  0
    1.9233   -7.5540    1.2026 N   0  0  0  0  0
    4.5252    2.2332   -0.0688 N   0  0  0  0  0
    5.0928    2.6375   -1.2393 C   0  0  0  0  0
    4.5447    2.3240   -2.3006 O   0  0  0  0  0
    6.3951    3.4646   -1.2878 C   0  0  0  0  0
    6.2848    4.7750   -0.4941 C   0  0  0  0  0
    6.3536    6.0109   -1.4015 C   0  0  0  0  0
    5.5332    7.1391   -0.8241 C   0  0  0  0  0
    4.3039    7.1177   -0.9156 O   0  0  0  0  0
    6.0942    8.1724   -0.1571 N   0  0  0  0  0
    7.4842    8.5430    0.1377 C   0  0  0  0  0
    8.2969    7.4511    0.8445 C   0  0  0  0  0
    9.5187    7.9934    1.5479 C   0  0  0  0  0
   10.8015    7.7278    1.0448 C   0  0  0  0  0
   11.9472    8.2404    1.6757 C   0  0  0  0  0
   13.2341    7.9776    1.1788 C   0  0  0  0  0
   14.3632    8.5008    1.8098 C   0  0  0  0  0
   14.2219    9.2888    2.9481 C   0  0  0  0  0
   12.9501    9.5543    3.4581 C   0  0  0  0  0
   11.8045    9.0364    2.8332 C   0  0  0  0  0
   10.5201    9.2905    3.3366 C   0  0  0  0  0
    9.3894    8.7713    2.7037 C   0  0  0  0  0
    8.1829    9.0758   -1.1150 C   0  0  0  0  0
    8.6465    8.4226   -2.0374 O   0  0  0  0  0
    8.1511   10.4248   -1.1781 O   0  0  0  0  0
    7.5567    2.6435   -0.9011 N   0  0  0  0  0
    8.4161    1.9452   -1.7130 C   0  0  0  0  0
    8.8929    0.8924   -1.2866 O   0  0  0  0  0
    8.7410    2.4330   -3.1482 C   0  0  0  0  0
    7.6302    1.9919   -4.1126 C   0  0  0  0  0
    7.5714    2.7537   -5.4345 C   0  0  0  0  0
    6.4046    2.2624   -6.2951 C   0  0  0  0  0
    6.3818    2.9784   -7.5552 N   0  0  0  0  0
    7.1103    2.6475   -8.6426 C   0  0  0  0  0
    8.0752    1.8121   -8.7375 N   0  0  0  0  0
    6.7209    3.3392   -9.7286 N   0  0  0  0  0
    8.9881    3.8833   -3.1030 N   0  0  0  0  0
   10.2665    4.3703   -2.9556 C   0  0  0  0  0
   10.5608    4.9127   -1.8898 O   0  0  0  0  0
   11.1659    4.4840   -4.1984 C   0  0  0  0  0
   11.5045    3.1643   -4.8808 C   0  0  0  0  0
   12.5562    3.3656   -5.8258 O   0  0  0  0  0
   10.4793    5.4068   -5.1102 N   0  0  0  0  0
   10.4684    6.7675   -5.1219 C   0  0  0  0  0
    9.5565    7.3032   -5.7642 O   0  0  0  0  0
   11.6206    7.6394   -4.5783 C   0  0  0  0  0
   12.0169    7.4686   -3.1080 C   0  0  0  0  0
   12.7920    8.6651   -2.6078 C   0  0  0  0  0
   12.1345    9.7855   -2.1101 C   0  0  0  0  0
   12.7562   10.9118   -1.7026 N   0  0  0  0  0
   14.1046   10.9149   -1.7620 C   0  0  0  0  0
   14.8563    9.8523   -2.2347 C   0  0  0  0  0
   14.1869    8.7133   -2.6713 C   0  0  0  0  0
   12.7477    7.4580   -5.4986 N   0  0  0  0  0
   12.9463    7.9580   -6.7452 C   0  0  0  0  0
   13.6207    7.2205   -7.4808 O   0  0  0  0  0
   12.5385    9.3717   -7.2624 C   0  0  0  0  0
   11.7108   10.2833   -6.3575 C   0  0  0  0  0
   11.3511   11.6233   -6.9607 C   0  0  0  0  0
   10.2026   11.7552   -7.7553 C   0  0  0  0  0
    9.8542   12.9964   -8.2919 C   0  0  0  0  0
   10.6524   14.1093   -8.0399 C   0  0  0  0  0
   11.7975   13.9915   -7.2558 C   0  0  0  0  0
   12.1469   12.7513   -6.7176 C   0  0  0  0  0
   10.2160   15.6421   -8.6889 Cl  0  0  0  0  0
   13.8229   10.0102   -7.6048 N   0  0  0  0  0
   14.4947   10.0584   -8.7892 C   0  0  0  0  0
   15.7073   10.2928   -8.7308 O   0  0  0  0  0
   13.8196    9.8118  -10.1538 C   0  0  0  0  0
   13.5195    8.3257  -10.4009 C   0  0  0  0  0
   13.1839    8.0349  -11.8485 C   0  0  0  0  0
   11.8619    8.1437  -12.3070 C   0  0  0  0  0
   11.5345    7.9065  -13.6518 C   0  0  0  0  0
   10.2137    8.0244  -14.1146 C   0  0  0  0  0
    9.9029    7.7854  -15.4539 C   0  0  0  0  0
   10.9080    7.4260  -16.3467 C   0  0  0  0  0
   12.2263    7.3073  -15.9025 C   0  0  0  0  0
   12.5557    7.5459  -14.5581 C   0  0  0  0  0
   13.8762    7.4376  -14.0943 C   0  0  0  0  0
   14.1883    7.6828  -12.7546 C   0  0  0  0  0
   12.6385   10.6630  -10.3223 N   0  0  0  0  0
   12.5718   11.8825  -10.9267 C   0  0  0  0  0
   11.4775   12.4258  -11.0648 O   0  0  0  0  0
   13.8415   12.5082  -11.4328 C   0  0  0  0  0
    3.5991    5.8370    2.9949 H   0  0  0  0  0
    4.7798    5.9821    4.3025 H   0  0  0  0  0
    3.4789    4.7831    4.4164 H   0  0  0  0  0
    5.7522    4.7908    2.3692 H   0  0  0  0  0
    5.3108    2.8666    4.7105 H   0  0  0  0  0
    6.4473    4.2255    4.7202 H   0  0  0  0  0
    6.6929    2.8940    3.5977 H   0  0  0  0  0
    3.5457    3.8765    1.5544 H   0  0  0  0  0
    3.5673    2.7304    2.8902 H   0  0  0  0  0
    6.0305    2.6812    1.2568 H   0  0  0  0  0
    4.5348   -0.8333    2.5775 H   0  0  0  0  0
    2.3976   -1.0570    2.1468 H   0  0  0  0  0
    2.1029    1.8585    1.3218 H   0  0  0  0  0
    1.9573    1.2530    2.9746 H   0  0  0  0  0
    0.0674   -0.2002    2.2813 H   0  0  0  0  0
    0.2164    0.3698    0.6167 H   0  0  0  0  0
   -0.1950    2.7227    1.3846 H   0  0  0  0  0
   -0.3525    2.1465    3.0453 H   0  0  0  0  0
   -2.2827    0.6969    2.3346 H   0  0  0  0  0
   -2.1441    1.3496    0.6888 H   0  0  0  0  0
   -2.6265    2.9532    3.1252 H   0  0  0  0  0
   -4.3609    2.3225    0.8169 H   0  0  0  0  0
   -4.6996    1.7876    3.8297 H   0  0  0  0  0
   -4.5223    0.5603    2.5623 H   0  0  0  0  0
   -5.9665    1.5688    2.6131 H   0  0  0  0  0
   -4.7474    4.3217    3.1095 H   0  0  0  0  0
   -5.9292    3.9357    1.8484 H   0  0  0  0  0
   -4.4098    4.7288    1.4168 H   0  0  0  0  0
    4.1226   -1.0895   -2.1356 H   0  0  0  0  0
    2.8852   -2.3691   -2.1876 H   0  0  0  0  0
    4.8091   -3.7660   -2.3508 H   0  0  0  0  0
    5.8252   -2.5927   -1.5286 H   0  0  0  0  0
    4.4874   -4.7980   -0.2007 H   0  0  0  0  0
    5.5159   -3.5659    0.4487 H   0  0  0  0  0
    3.7243   -2.7627    1.5396 H   0  0  0  0  0
    0.5522   -4.7774    0.3260 H   0  0  0  0  0
    1.0486   -6.4366   -0.8957 H   0  0  0  0  0
    3.7614   -5.7085   -1.9145 H   0  0  0  0  0
    2.3420   -4.7659   -2.4453 H   0  0  0  0  0
    2.4228   -6.5163   -2.6619 H   0  0  0  0  0
    0.9139   -7.5327    1.1649 H   0  0  0  0  0
    2.3638   -8.2371    1.8070 H   0  0  0  0  0
    3.6713    1.7078   -0.2621 H   0  0  0  0  0
    6.5082    3.7206   -2.3431 H   0  0  0  0  0
    7.0788    4.8368    0.2576 H   0  0  0  0  0
    5.3357    4.8076    0.0500 H   0  0  0  0  0
    5.9114    5.8032   -2.3847 H   0  0  0  0  0
    7.3863    6.2989   -1.5949 H   0  0  0  0  0
    5.3913    8.8514    0.1168 H   0  0  0  0  0
    7.3851    9.3924    0.8268 H   0  0  0  0  0
    8.6143    6.6758    0.1401 H   0  0  0  0  0
    7.6737    6.9437    1.5928 H   0  0  0  0  0
   10.9126    7.1109    0.1552 H   0  0  0  0  0
   13.3650    7.3650    0.2905 H   0  0  0  0  0
   15.3521    8.2927    1.4099 H   0  0  0  0  0
   15.0998    9.6982    3.4405 H   0  0  0  0  0
   12.8595   10.1718    4.3487 H   0  0  0  0  0
   10.3914    9.8974    4.2304 H   0  0  0  0  0
    8.4087    8.9826    3.1247 H   0  0  0  0  0
    8.5456   10.6682   -2.0413 H   0  0  0  0  0
    7.4742    2.1469   -0.0193 H   0  0  0  0  0
    9.6769    1.9406   -3.4283 H   0  0  0  0  0
    6.6495    2.0482   -3.6385 H   0  0  0  0  0
    7.7709    0.9221   -4.3198 H   0  0  0  0  0
    8.5148    2.6319   -5.9743 H   0  0  0  0  0
    7.4447    3.8272   -5.2496 H   0  0  0  0  0
    5.4623    2.4526   -5.7677 H   0  0  0  0  0
    6.4608    1.1809   -6.4644 H   0  0  0  0  0
    5.4513    3.2973   -7.8096 H   0  0  0  0  0
    8.2361    1.3657   -7.8367 H   0  0  0  0  0
    6.6298    4.3318   -9.5549 H   0  0  0  0  0
    7.3715    3.1683  -10.4900 H   0  0  0  0  0
    8.4933    4.2648   -2.3062 H   0  0  0  0  0
   12.1091    4.9358   -3.8963 H   0  0  0  0  0
   10.6562    2.7297   -5.4130 H   0  0  0  0  0
   11.8621    2.4338   -4.1485 H   0  0  0  0  0
   12.1937    3.8877   -6.5666 H   0  0  0  0  0
    9.6180    5.0513   -5.5154 H   0  0  0  0  0
   11.2451    8.6531   -4.6572 H   0  0  0  0  0
   12.6407    6.5871   -2.9412 H   0  0  0  0  0
   11.1227    7.3451   -2.4884 H   0  0  0  0  0
   11.0528    9.8134   -2.0286 H   0  0  0  0  0
   14.5816   11.8247   -1.4087 H   0  0  0  0  0
   15.9386    9.9115   -2.2640 H   0  0  0  0  0
   14.7574    7.8721   -3.0573 H   0  0  0  0  0
   13.1675    6.5340   -5.4589 H   0  0  0  0  0
   11.9663    9.1942   -8.1750 H   0  0  0  0  0
   12.2273   10.4541   -5.4048 H   0  0  0  0  0
   10.7560    9.7988   -6.1314 H   0  0  0  0  0
    9.5652   10.8975   -7.9598 H   0  0  0  0  0
    8.9700   13.0864   -8.9171 H   0  0  0  0  0
   12.4197   14.8600   -7.0591 H   0  0  0  0  0
   13.0414   12.6752   -6.1033 H   0  0  0  0  0
   14.4636   10.1479   -6.8315 H   0  0  0  0  0
   14.5583   10.1286  -10.9002 H   0  0  0  0  0
   12.6826    7.9754   -9.7892 H   0  0  0  0  0
   14.3824    7.7149  -10.1056 H   0  0  0  0  0
   11.0749    8.4242  -11.6101 H   0  0  0  0  0
    9.4157    8.3091  -13.4326 H   0  0  0  0  0
    8.8769    7.8829  -15.7986 H   0  0  0  0  0
   10.6678    7.2406  -17.3902 H   0  0  0  0  0
   12.9982    7.0283  -16.6159 H   0  0  0  0  0
   14.6763    7.1625  -14.7779 H   0  0  0  0  0
   15.2220    7.5945  -12.4268 H   0  0  0  0  0
   11.7434   10.3486   -9.9763 H   0  0  0  0  0
   14.1990   11.9644  -12.3111 H   0  0  0  0  0
   14.6055   12.5139  -10.6512 H   0  0  0  0  0
   13.6442   13.5455  -11.7192 H   0  0  0  0  0
  1  2  1  0  0  0
  1116  1  0  0  0
  1117  1  0  0  0
  1118  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2119  1  0  0  0
  3120  1  0  0  0
  3121  1  0  0  0
  3122  1  0  0  0
  4  5  1  0  0  0
  4123  1  0  0  0
  4124  1  0  0  0
  5 33  1  0  0  0
  5  6  1  0  0  0
  5125  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8126  1  0  0  0
  9 18  1  0  0  0
  9 10  1  0  0  0
  9127  1  0  0  0
 10 11  1  0  0  0
 10128  1  0  0  0
 10129  1  0  0  0
 11 12  1  0  0  0
 11130  1  0  0  0
 11131  1  0  0  0
 12 13  1  0  0  0
 12132  1  0  0  0
 12133  1  0  0  0
 13 14  1  0  0  0
 13134  1  0  0  0
 13135  1  0  0  0
 14 15  1  0  0  0
 14136  1  0  0  0
 15 17  1  0  0  0
 15 16  1  0  0  0
 15137  1  0  0  0
 16138  1  0  0  0
 16139  1  0  0  0
 16140  1  0  0  0
 17141  1  0  0  0
 17142  1  0  0  0
 17143  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 24  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
 21144  1  0  0  0
 21145  1  0  0  0
 22 23  1  0  0  0
 22146  1  0  0  0
 22147  1  0  0  0
 23 24  1  0  0  0
 23148  1  0  0  0
 23149  1  0  0  0
 24 25  1  0  0  0
 24150  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 28  1  0  0  0
 27151  1  0  0  0
 28 30  1  0  0  0
 28 29  1  0  0  0
 28152  1  0  0  0
 29153  1  0  0  0
 29154  1  0  0  0
 29155  1  0  0  0
 30 32  1  0  0  0
 30 31  2  0  0  0
 32156  1  0  0  0
 32157  1  0  0  0
 33 34  1  0  0  0
 33158  1  0  0  0
 34 36  1  0  0  0
 34 35  2  0  0  0
 36 57  1  0  0  0
 36 37  1  0  0  0
 36159  1  0  0  0
 37 38  1  0  0  0
 37160  1  0  0  0
 37161  1  0  0  0
 38 39  1  0  0  0
 38162  1  0  0  0
 38163  1  0  0  0
 39 41  1  0  0  0
 39 40  2  0  0  0
 41 42  1  0  0  0
 41164  1  0  0  0
 42 54  1  0  0  0
 42 43  1  0  0  0
 42165  1  0  0  0
 43 44  1  0  0  0
 43166  1  0  0  0
 43167  1  0  0  0
 44 53  1  0  0  0
 44 45  2  0  0  0
 45 46  1  0  0  0
 45168  1  0  0  0
 46 51  1  0  0  0
 46 47  2  0  0  0
 47 48  1  0  0  0
 47169  1  0  0  0
 48 49  2  0  0  0
 48170  1  0  0  0
 49 50  1  0  0  0
 49171  1  0  0  0
 50 51  2  0  0  0
 50172  1  0  0  0
 51 52  1  0  0  0
 52 53  2  0  0  0
 52173  1  0  0  0
 53174  1  0  0  0
 54 56  1  0  0  0
 54 55  2  0  0  0
 56175  1  0  0  0
 57 58  1  0  0  0
 57176  1  0  0  0
 58 60  1  0  0  0
 58 59  2  0  0  0
 60 68  1  0  0  0
 60 61  1  0  0  0
 60177  1  0  0  0
 61 62  1  0  0  0
 61178  1  0  0  0
 61179  1  0  0  0
 62 63  1  0  0  0
 62180  1  0  0  0
 62181  1  0  0  0
 63 64  1  0  0  0
 63182  1  0  0  0
 63183  1  0  0  0
 64 65  1  0  0  0
 64184  1  0  0  0
 65 67  1  0  0  0
 65 66  2  0  0  0
 66185  1  0  0  0
 67186  1  0  0  0
 67187  1  0  0  0
 68 69  1  0  0  0
 68188  1  0  0  0
 69 71  1  0  0  0
 69 70  2  0  0  0
 71 74  1  0  0  0
 71 72  1  0  0  0
 71189  1  0  0  0
 72 73  1  0  0  0
 72190  1  0  0  0
 72191  1  0  0  0
 73192  1  0  0  0
 74 75  1  0  0  0
 74193  1  0  0  0
 75 77  1  0  0  0
 75 76  2  0  0  0
 77 85  1  0  0  0
 77 78  1  0  0  0
 77194  1  0  0  0
 78 79  1  0  0  0
 78195  1  0  0  0
 78196  1  0  0  0
 79 80  2  0  0  0
 79 84  1  0  0  0
 80 81  1  0  0  0
 80197  1  0  0  0
 81 82  2  0  0  0
 82 83  1  0  0  0
 82198  1  0  0  0
 83 84  2  0  0  0
 83199  1  0  0  0
 84200  1  0  0  0
 85 86  1  0  0  0
 85201  1  0  0  0
 86 88  1  0  0  0
 86 87  2  0  0  0
 88 97  1  0  0  0
 88 89  1  0  0  0
 88202  1  0  0  0
 89 90  1  0  0  0
 89203  1  0  0  0
 89204  1  0  0  0
 90 91  2  0  0  0
 90 95  1  0  0  0
 91 92  1  0  0  0
 91205  1  0  0  0
 92 93  2  0  0  0
 92206  1  0  0  0
 93 94  1  0  0  0
 93 96  1  0  0  0
 94 95  2  0  0  0
 94207  1  0  0  0
 95208  1  0  0  0
 97 98  1  0  0  0
 97209  1  0  0  0
 98100  1  0  0  0
 98 99  2  0  0  0
100112  1  0  0  0
100101  1  0  0  0
100210  1  0  0  0
101102  1  0  0  0
101211  1  0  0  0
101212  1  0  0  0
102111  1  0  0  0
102103  2  0  0  0
103104  1  0  0  0
103213  1  0  0  0
104109  1  0  0  0
104105  2  0  0  0
105106  1  0  0  0
105214  1  0  0  0
106107  2  0  0  0
106215  1  0  0  0
107108  1  0  0  0
107216  1  0  0  0
108109  2  0  0  0
108217  1  0  0  0
109110  1  0  0  0
110111  2  0  0  0
110218  1  0  0  0
111219  1  0  0  0
112113  1  0  0  0
112220  1  0  0  0
113115  1  0  0  0
113114  2  0  0  0
115221  1  0  0  0
115222  1  0  0  0
115223  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL384898

>  <PubChem CID>
91931701

>  <Formula>
C82H108ClN17O15

>  <Molecular Weight>
1607.320000

>  <IUPAC Name>


>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
17

>  <Hydrogen Bond Acceptors>
18

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CCC(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CC4=CN=CC=C4)NC(=O)C(CC5=CC=C(C=C5)Cl)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)NC(=O)C

>  <Isomeric SMILES>
C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCC(=O)NC(CC2=CC3=CC=CC=C3C=C2)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H](CC4=CN=CC=C4)NC(=O)[C@@H](CC5=CC=C(C=C5)Cl)NC(=O)[C@@H](CC6=CC7=CC=CC=C7C=C6)NC(=O)C

>  <InChI Std. ID>
InChI=1S/C82H108ClN17O15/c1-47(2)38-63(74(107)95-62(21-11-12-35-88-48(3)4)80(113)100-37-15-23-69(100)79(112)90-49(5)71(84)104)96-73(106)61(32-33-70(103)92-67(81(114)115)43-53-25-29-56-18-8-10-20-58(56)40-53)94-72(105)60(22-14-36-89-82(85)86)93-78(111)68(46-101)99-77(110)66(44-54-16-13-34-87-45-54)98-76(109)65(41-51-26-30-59(83)31-27-51)97-75(108)64(91-50(6)102)42-52-24-28-55-17-7-9-19-57(55)39-52/h7-10,13,16-20,24-31,34,39-40,45,47-49,60-69,88,101H,11-12,14-15,21-23,32-33,35-38,41-44,46H2,1-6H3,(H2,84,104)(H,90,112)(H,91,102)(H,92,103)(H,93,111)(H,94,105)(H,95,107)(H,96,106)(H,97,108)(H,98,109)(H,99,110)(H,114,115)(H4,85,86,89)/t49-,60+,61-,62+,63+,64-,65-,66-,67?,68+,69+/m1/s1

>  <InChI Key>
BLMLZBKYIWXVKE-DPWAJBHVSA-N

