
 CHEMBL2370890

223229  0  0  0  0  0  0  0  0999 V2000
    5.4464    2.1929    5.5519 C   0  0  0  0  0
    5.6374    1.3853    4.2612 C   0  0  0  0  0
    5.2262   -0.0643    4.5256 C   0  0  0  0  0
    4.8281    2.0453    3.1208 C   0  0  0  0  0
    5.2117    1.6117    1.6938 C   0  0  0  0  0
    4.6723    0.2072    1.3303 C   0  0  0  0  0
    5.4699   -0.7391    1.2559 O   0  0  0  0  0
    3.3680   -0.1370    1.1708 N   0  0  0  0  0
    2.1365    0.5710    0.7575 C   0  0  0  0  0
    1.7247    1.7417    1.6552 C   0  0  0  0  0
    0.3296    2.2759    1.3107 C   0  0  0  0  0
   -0.0985    3.3822    2.2805 C   0  0  0  0  0
   -1.4907    3.9110    1.9251 C   0  0  0  0  0
   -1.9207    4.8889    2.9225 N   0  0  0  0  0
   -3.2159    5.5042    2.6105 C   0  0  0  0  0
   -4.3809    4.5182    2.7253 C   0  0  0  0  0
   -3.4299    6.6681    3.5808 C   0  0  0  0  0
    2.3156    0.9519   -0.7278 C   0  0  0  0  0
    2.7563    2.0688   -1.0084 O   0  0  0  0  0
    2.1907   -0.0133   -1.7067 N   0  0  0  0  0
    2.9332    0.1501   -2.9406 C   0  0  0  0  0
    3.3363   -1.2628   -3.3233 C   0  0  0  0  0
    2.2553   -2.1660   -2.7337 C   0  0  0  0  0
    1.6321   -1.3643   -1.5997 C   0  0  0  0  0
    0.0880   -1.3639   -1.4762 C   0  0  0  0  0
   -0.3971   -1.3114   -0.3322 O   0  0  0  0  0
   -0.8410   -1.2933   -2.4537 N   0  0  0  0  0
   -0.9176   -1.3499   -3.9214 C   0  0  0  0  0
   -0.0077   -0.4125   -4.6876 C   0  0  0  0  0
   -0.9085   -2.7941   -4.4621 C   0  0  0  0  0
   -0.0484   -3.2517   -5.2066 O   0  0  0  0  0
   -1.9703   -3.5697   -4.0825 N   0  0  0  0  0
    4.8475    2.6058    0.6847 N   0  0  0  0  0
    5.4078    3.7695    0.2802 C   0  0  0  0  0
    4.8562    4.3680   -0.6489 O   0  0  0  0  0
    6.5764    4.4732    0.9949 C   0  0  0  0  0
    6.0170    5.3687    2.1164 C   0  0  0  0  0
    6.2967    6.8512    1.8459 C   0  0  0  0  0
    5.2515    7.7261    2.4978 C   0  0  0  0  0
    4.0969    7.7485    2.0684 O   0  0  0  0  0
    5.5316    8.4883    3.5818 N   0  0  0  0  0
    6.7527    8.6612    4.3803 C   0  0  0  0  0
    7.3195    7.3448    4.9275 C   0  0  0  0  0
    7.9159    7.4970    6.3072 C   0  0  0  0  0
    9.3027    7.5998    6.4806 C   0  0  0  0  0
    9.8626    7.7668    7.7586 C   0  0  0  0  0
   11.2509    7.8703    7.9414 C   0  0  0  0  0
   11.7920    8.0405    9.2168 C   0  0  0  0  0
   10.9532    8.1098   10.3251 C   0  0  0  0  0
    9.5712    8.0069   10.1611 C   0  0  0  0  0
    9.0117    7.8343    8.8851 C   0  0  0  0  0
    7.6252    7.7275    8.7050 C   0  0  0  0  0
    7.0826    7.5595    7.4300 C   0  0  0  0  0
    7.8057    9.4765    3.6247 C   0  0  0  0  0
    8.0518    9.4341    2.4303 O   0  0  0  0  0
    8.5034   10.3050    4.4277 O   0  0  0  0  0
    7.6729    3.6296    1.4727 N   0  0  0  0  0
    8.7997    3.1825    0.8431 C   0  0  0  0  0
    9.4952    2.3566    1.4415 O   0  0  0  0  0
    9.2247    3.6701   -0.5705 C   0  0  0  0  0
    8.2005    3.2272   -1.6265 C   0  0  0  0  0
    8.7407    3.2810   -3.0565 C   0  0  0  0  0
    7.8284    2.5627   -4.0582 C   0  0  0  0  0
    7.4711    3.4372   -5.1706 N   0  0  0  0  0
    8.3150    3.6865   -6.0959 C   0  0  0  0  0
    9.5964    3.2834   -6.2436 N   0  0  0  0  0
    7.9629    4.4715   -7.1361 N   0  0  0  0  0
    9.4798    5.1191   -0.5425 N   0  0  0  0  0
   10.7007    5.6135   -0.1511 C   0  0  0  0  0
   10.7727    6.2175    0.9188 O   0  0  0  0  0
   11.9256    5.4483   -1.0693 C   0  0  0  0  0
   12.8724    4.3819   -0.5142 C   0  0  0  0  0
   14.1438    4.4780   -1.1593 O   0  0  0  0  0
   11.5670    5.1644   -2.4646 N   0  0  0  0  0
   11.3033    5.9932   -3.5102 C   0  0  0  0  0
   10.9413    5.4426   -4.5561 O   0  0  0  0  0
   11.6218    7.5106   -3.5087 C   0  0  0  0  0
   10.9486    8.3308   -2.3916 C   0  0  0  0  0
   11.7499    9.4749   -1.8293 C   0  0  0  0  0
   11.9758   10.6382   -2.5594 C   0  0  0  0  0
   12.6993   11.6880   -2.1094 N   0  0  0  0  0
   13.2134   11.5895   -0.8674 C   0  0  0  0  0
   13.0378   10.4860   -0.0525 C   0  0  0  0  0
   12.2932    9.4163   -0.5418 C   0  0  0  0  0
   13.0818    7.5922   -3.5869 N   0  0  0  0  0
   13.8217    7.4149   -4.7255 C   0  0  0  0  0
   14.8444    6.7309   -4.6276 O   0  0  0  0  0
   13.3832    7.9747   -6.1000 C   0  0  0  0  0
   12.4104    7.0370   -6.8302 C   0  0  0  0  0
   12.3658    7.3163   -8.3169 C   0  0  0  0  0
   13.2461    6.6595   -9.1880 C   0  0  0  0  0
   13.2224    6.9385  -10.5564 C   0  0  0  0  0
   12.3228    7.8763  -11.0591 C   0  0  0  0  0
   11.4476    8.5404  -10.2039 C   0  0  0  0  0
   11.4689    8.2619   -8.8360 C   0  0  0  0  0
   12.2818    8.2035  -12.7479 Cl  0  0  0  0  0
   12.8549    9.3357   -5.9744 N   0  0  0  0  0
   13.4532   10.5481   -6.1276 C   0  0  0  0  0
   12.7449   11.5356   -5.9046 O   0  0  0  0  0
   14.9012   10.7205   -6.6290 C   0  0  0  0  0
   15.9501   10.0529   -5.7280 C   0  0  0  0  0
   17.3662   10.4663   -6.0655 C   0  0  0  0  0
   18.0684    9.8094   -7.0885 C   0  0  0  0  0
   19.3814   10.1755   -7.4252 C   0  0  0  0  0
   20.0827    9.5212   -8.4513 C   0  0  0  0  0
   21.3889    9.8927   -8.7722 C   0  0  0  0  0
   22.0099   10.9220   -8.0712 C   0  0  0  0  0
   21.3246   11.5838   -7.0503 C   0  0  0  0  0
   20.0085   11.2232   -6.7165 C   0  0  0  0  0
   19.3007   11.8793   -5.6962 C   0  0  0  0  0
   17.9920   11.5076   -5.3756 C   0  0  0  0  0
   14.9611   10.2844   -8.0274 N   0  0  0  0  0
   14.7723   11.0530   -9.1381 C   0  0  0  0  0
   14.6948   10.5086  -10.2377 O   0  0  0  0  0
   14.6886   12.5456   -8.9788 C   0  0  0  0  0
    5.7894    3.2248    5.4216 H   0  0  0  0  0
    6.0209    1.7558    6.3758 H   0  0  0  0  0
    4.3926    2.2194    5.8506 H   0  0  0  0  0
    6.7049    1.4081    4.0107 H   0  0  0  0  0
    4.1393   -0.1603    4.6227 H   0  0  0  0  0
    5.6786   -0.4378    5.4510 H   0  0  0  0  0
    5.5606   -0.7282    3.7273 H   0  0  0  0  0
    4.9677    3.1268    3.2020 H   0  0  0  0  0
    3.7674    1.8745    3.3120 H   0  0  0  0  0
    6.3009    1.5236    1.6386 H   0  0  0  0  0
    3.3307   -1.1337    0.9936 H   0  0  0  0  0
    1.3501   -0.1797    0.8419 H   0  0  0  0  0
    2.4309    2.5723    1.5888 H   0  0  0  0  0
    1.7186    1.4011    2.6978 H   0  0  0  0  0
   -0.3969    1.4554    1.3508 H   0  0  0  0  0
    0.3209    2.6675    0.2870 H   0  0  0  0  0
    0.6292    4.2033    2.2515 H   0  0  0  0  0
   -0.0981    2.9859    3.3039 H   0  0  0  0  0
   -2.1888    3.0684    1.8848 H   0  0  0  0  0
   -1.4564    4.3742    0.9319 H   0  0  0  0  0
   -1.9525    4.4557    3.8445 H   0  0  0  0  0
   -3.1927    5.9186    1.5951 H   0  0  0  0  0
   -4.3997    4.0326    3.7073 H   0  0  0  0  0
   -4.3241    3.7373    1.9605 H   0  0  0  0  0
   -5.3381    5.0333    2.5888 H   0  0  0  0  0
   -3.4697    6.3247    4.6210 H   0  0  0  0  0
   -4.3710    7.1849    3.3626 H   0  0  0  0  0
   -2.6225    7.4042    3.4969 H   0  0  0  0  0
    3.8097    0.7941   -2.8127 H   0  0  0  0  0
    2.2784    0.6184   -3.6768 H   0  0  0  0  0
    3.4471   -1.3866   -4.4044 H   0  0  0  0  0
    4.3011   -1.5055   -2.8616 H   0  0  0  0  0
    1.5394   -2.4722   -3.4875 H   0  0  0  0  0
    2.7034   -3.0927   -2.3558 H   0  0  0  0  0
    1.9982   -1.7992   -0.6619 H   0  0  0  0  0
   -1.7520   -1.2857   -2.0097 H   0  0  0  0  0
   -1.9351   -0.9866   -4.1290 H   0  0  0  0  0
    1.0059   -0.7973   -4.7815 H   0  0  0  0  0
    0.0179    0.5799   -4.2288 H   0  0  0  0  0
   -0.3733   -0.2981   -5.7152 H   0  0  0  0  0
   -2.8224   -3.1713   -3.7133 H   0  0  0  0  0
   -2.0299   -4.4882   -4.5063 H   0  0  0  0  0
    4.0764    2.3871    0.0525 H   0  0  0  0  0
    6.9940    5.1088    0.2148 H   0  0  0  0  0
    6.4503    5.0998    3.0870 H   0  0  0  0  0
    4.9347    5.2206    2.2174 H   0  0  0  0  0
    6.2378    7.0756    0.7731 H   0  0  0  0  0
    7.3122    7.0999    2.1511 H   0  0  0  0  0
    4.7259    9.0363    3.8626 H   0  0  0  0  0
    6.4107    9.2966    5.2084 H   0  0  0  0  0
    8.0768    6.9276    4.2529 H   0  0  0  0  0
    6.5279    6.5873    4.9978 H   0  0  0  0  0
    9.9580    7.5529    5.6125 H   0  0  0  0  0
   11.9235    7.8181    7.0883 H   0  0  0  0  0
   12.8686    8.1187    9.3437 H   0  0  0  0  0
   11.3734    8.2432   11.3185 H   0  0  0  0  0
    8.9319    8.0629   11.0392 H   0  0  0  0  0
    6.9547    7.7761    9.5602 H   0  0  0  0  0
    6.0026    7.4804    7.3230 H   0  0  0  0  0
    9.1181   10.7736    3.8243 H   0  0  0  0  0
    7.5501    3.1820    2.3736 H   0  0  0  0  0
   10.1770    3.1677   -0.7767 H   0  0  0  0  0
    7.3066    3.8526   -1.5943 H   0  0  0  0  0
    7.8853    2.1998   -1.4028 H   0  0  0  0  0
    9.7249    2.8006   -3.0910 H   0  0  0  0  0
    8.8728    4.3310   -3.3360 H   0  0  0  0  0
    8.3045    1.6425   -4.4193 H   0  0  0  0  0
    6.8955    2.2464   -3.5776 H   0  0  0  0  0
    9.9863    2.8754   -5.4064 H   0  0  0  0  0
   10.1807    4.0712   -6.5128 H   0  0  0  0  0
    6.9589    4.6213   -7.1313 H   0  0  0  0  0
    8.2712    4.0933   -8.0235 H   0  0  0  0  0
    8.8055    5.5817    0.0524 H   0  0  0  0  0
   12.4515    6.4064   -1.0667 H   0  0  0  0  0
   12.4895    3.3682   -0.6678 H   0  0  0  0  0
   13.0376    4.5202    0.5591 H   0  0  0  0  0
   14.0129    4.3419   -2.1156 H   0  0  0  0  0
   11.2720    4.2219   -2.6700 H   0  0  0  0  0
   11.2093    7.8948   -4.4437 H   0  0  0  0  0
   10.6003    7.7000   -1.5749 H   0  0  0  0  0
   10.0106    8.7440   -2.7908 H   0  0  0  0  0
   11.5648   10.7776   -3.5554 H   0  0  0  0  0
   13.7832   12.4512   -0.5324 H   0  0  0  0  0
   13.4665   10.4608    0.9428 H   0  0  0  0  0
   12.1340    8.5518    0.0979 H   0  0  0  0  0
   13.5781    7.1955   -2.7957 H   0  0  0  0  0
   14.2991    8.0271   -6.6915 H   0  0  0  0  0
   11.3912    7.1302   -6.4416 H   0  0  0  0  0
   12.7007    5.9903   -6.6743 H   0  0  0  0  0
   13.9557    5.9259   -8.8113 H   0  0  0  0  0
   13.9085    6.4263  -11.2254 H   0  0  0  0  0
   10.7527    9.2788  -10.5947 H   0  0  0  0  0
   10.7822    8.7947   -8.1818 H   0  0  0  0  0
   11.8953    9.4425   -5.6762 H   0  0  0  0  0
   15.0916   11.7998   -6.5991 H   0  0  0  0  0
   15.9148    8.9633   -5.7913 H   0  0  0  0  0
   15.7421   10.2921   -4.6768 H   0  0  0  0  0
   17.5861    9.0001   -7.6338 H   0  0  0  0  0
   19.6129    8.7157   -9.0113 H   0  0  0  0  0
   21.9187    9.3783   -9.5696 H   0  0  0  0  0
   23.0274   11.2121   -8.3194 H   0  0  0  0  0
   21.8264   12.3865   -6.5151 H   0  0  0  0  0
   19.7674   12.6893   -5.1403 H   0  0  0  0  0
   17.4718   12.0355   -4.5792 H   0  0  0  0  0
   14.9290    9.2968   -8.2436 H   0  0  0  0  0
   15.6162   12.9296   -8.5459 H   0  0  0  0  0
   13.8344   12.8128   -8.3517 H   0  0  0  0  0
   14.5505   13.0074   -9.9609 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  2  0  0  0
 65 67  1  0  0  0
 65 66  1  0  0  0
 66184  1  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>
CHEMBL2370890

>  <PubChem CID>
73356168

>  <Formula>
C82H108ClN17O15

>  <Molecular Weight>
1607.320000

>  <IUPAC Name>


>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
16

>  <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(CCCN=C(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)N[C@H](CC2=CC3=CC=CC=C3C=C2)C(=O)O)NC(=O)[C@H](CCCN=C(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-QZPPPIOUSA-N

