
 CHEMBL3040691

234239  0  0  0  0  0  0  0  0999 V2000
    6.4772  -36.5208   -2.1970 C   0  0  0  0  0
    5.1542  -36.2234   -2.5071 C   0  0  0  0  0
    4.1165  -36.7739   -1.7479 C   0  0  0  0  0
    4.3799  -37.6156   -0.6530 C   0  0  0  0  0
    5.7238  -37.8935   -0.3551 C   0  0  0  0  0
    6.7610  -37.3614   -1.1257 C   0  0  0  0  0
    3.2216  -38.1516    0.2053 C   0  0  0  0  0
    3.2820  -39.6667    0.4500 C   0  0  0  0  0
    4.0789  -40.2451    1.4530 C   0  0  0  0  0
    4.1468  -41.6311    1.6106 C   0  0  0  0  0
    3.4089  -42.4655    0.7770 C   0  0  0  0  0
    2.6012  -41.9141   -0.2135 C   0  0  0  0  0
    2.5417  -40.5277   -0.3791 C   0  0  0  0  0
    3.0735  -37.3326    1.5029 C   0  0  0  0  0
    3.9632  -37.2972    2.3629 O   0  0  0  0  0
    1.9570  -36.6015    1.7842 N   0  0  0  0  0
    0.7331  -36.2687    1.0458 C   0  0  0  0  0
    0.9665  -35.6799   -0.3511 C   0  0  0  0  0
   -0.1995  -34.7834   -0.7798 C   0  0  0  0  0
    0.0433  -34.1741   -2.1593 C   0  0  0  0  0
   -1.0638  -33.3138   -2.5186 N   0  0  0  0  0
   -1.2379  -32.0431   -2.0981 C   0  0  0  0  0
   -0.5574  -31.3898   -1.2274 N   0  0  0  0  0
   -2.2880  -31.4601   -2.7022 N   0  0  0  0  0
   -0.2385  -37.4675    0.9962 C   0  0  0  0  0
   -0.1538  -38.3432    0.1319 O   0  0  0  0  0
   -1.1901  -37.6110    1.9650 N   0  0  0  0  0
   -1.5333  -36.7043    3.0427 C   0  0  0  0  0
   -2.3507  -35.5194    2.5825 C   0  0  0  0  0
   -3.4033  -35.6563    1.6678 C   0  0  0  0  0
   -4.1458  -34.5428    1.2631 C   0  0  0  0  0
   -3.8575  -33.2659    1.7675 C   0  0  0  0  0
   -2.8243  -33.1304    2.6993 C   0  0  0  0  0
   -2.0905  -34.2470    3.1123 C   0  0  0  0  0
   -4.6260  -32.0638    1.2734 C   0  0  0  0  0
   -4.2616  -31.7593   -0.0969 N   0  0  0  0  0
   -5.1447  -31.2004   -0.9570 C   0  0  0  0  0
   -5.3061  -31.6708   -2.0782 O   0  0  0  0  0
   -5.8175  -30.0898   -0.5587 N   0  0  0  0  0
   -5.1404  -28.9503    0.0460 C   0  0  0  0  0
   -4.5309  -28.0394   -1.0251 C   0  0  0  0  0
   -3.6801  -26.9302   -0.4074 C   0  0  0  0  0
   -3.1643  -25.9582   -1.4684 C   0  0  0  0  0
   -2.2547  -24.9889   -0.8854 N   0  0  0  0  0
   -0.8938  -25.0620   -0.7692 C   0  0  0  0  0
   -0.3076  -24.2288   -0.0752 O   0  0  0  0  0
   -0.1306  -26.1498   -1.5273 C   0  0  0  0  0
   -0.0780  -25.8571   -2.9518 N   0  0  0  0  0
    0.8358  -25.1184   -3.6378 C   0  0  0  0  0
    0.6763  -24.9741   -4.8514 O   0  0  0  0  0
    2.0414  -24.5574   -2.9162 C   0  0  0  0  0
    3.1255  -25.6219   -2.7964 C   0  0  0  0  0
    4.2343  -25.4570   -3.8215 C   0  0  0  0  0
    4.4632  -24.3996   -4.4047 O   0  0  0  0  0
    5.0705  -26.5176   -4.0400 N   0  0  0  0  0
    4.9330  -27.8666   -3.5153 C   0  0  0  0  0
    3.9690  -28.7330   -4.3582 C   0  0  0  0  0
    3.0171  -29.4862   -3.5228 N   0  0  0  0  0
    1.8877  -30.0190   -4.3175 C   0  0  0  0  0
    0.8410  -28.9445   -4.6842 C   0  0  0  0  0
   -0.1909  -29.4746   -5.5788 N   0  0  0  0  0
    3.6723  -30.5697   -2.7624 C   0  0  0  0  0
    3.1477  -30.5663   -1.3188 C   0  0  0  0  0
    3.3923  -31.8111   -0.6045 N   0  0  0  0  0
    3.0386  -32.0211    0.7041 C   0  0  0  0  0
    2.7633  -33.1645    1.0676 O   0  0  0  0  0
    3.0332  -30.8385    1.6526 C   0  0  0  0  0
    2.0176  -31.0190    2.7709 C   0  0  0  0  0
    2.6245  -31.4014    4.1106 C   0  0  0  0  0
    3.8270  -31.5066    4.3228 O   0  0  0  0  0
    1.7379  -31.5824    5.1422 N   0  0  0  0  0
    0.2994  -31.4593    5.0634 C   0  0  0  0  0
   -0.3826  -31.7953    6.3836 C   0  0  0  0  0
   -0.9089  -32.8918    6.5749 O   0  0  0  0  0
   -0.3692  -30.8742    7.3920 N   0  0  0  0  0
    0.1281  -29.5101    7.3680 C   0  0  0  0  0
   -0.9221  -28.5417    6.8262 C   0  0  0  0  0
   -0.4723  -27.0865    6.9577 C   0  0  0  0  0
   -1.5065  -26.1384    6.3548 C   0  0  0  0  0
   -1.2379  -24.7584    6.7012 N   0  0  0  0  0
   -0.6686  -23.7726    5.9624 C   0  0  0  0  0
   -0.7721  -22.6098    6.3305 O   0  0  0  0  0
   -0.0185  -24.1672    4.8328 N   0  0  0  0  0
    0.5926  -23.2029    3.9403 C   0  0  0  0  0
    2.0699  -22.9776    4.1758 C   0  0  0  0  0
    2.6496  -23.0402    5.4489 C   0  0  0  0  0
    4.0059  -22.7530    5.6368 C   0  0  0  0  0
    4.8213  -22.3854    4.5574 C   0  0  0  0  0
    4.2340  -22.2819    3.2889 C   0  0  0  0  0
    2.8797  -22.5814    3.1004 C   0  0  0  0  0
    6.2763  -22.0321    4.7487 C   0  0  0  0  0
    6.9348  -22.8343    5.7592 N   0  0  0  0  0
    7.4436  -24.0896    5.7950 C   0  0  0  0  0
    7.8680  -24.4254    6.9085 O   0  0  0  0  0
    7.6889  -25.0062    4.5598 C   0  0  0  0  0
    6.7894  -24.7839    3.3427 C   0  0  0  0  0
    6.9427  -25.8710    2.2822 C   0  0  0  0  0
    6.0466  -25.6192    1.0703 C   0  0  0  0  0
    6.2807  -26.6334    0.0638 N   0  0  0  0  0
    5.9936  -27.9419    0.1949 C   0  0  0  0  0
    5.1657  -28.4741    1.0140 N   0  0  0  0  0
    6.6747  -28.7277   -0.6588 N   0  0  0  0  0
    9.0991  -24.8613    4.1917 N   0  0  0  0  0
   10.1987  -25.5934    4.5190 C   0  0  0  0  0
   11.2738  -24.9901    4.3640 O   0  0  0  0  0
   10.2242  -27.0855    4.9223 C   0  0  0  0  0
    9.2188  -27.5799    5.9636 C   0  0  0  0  0
    8.2693  -28.5907    5.7423 C   0  0  0  0  0
    7.3937  -29.0001    6.7550 C   0  0  0  0  0
    7.4650  -28.4249    8.0190 C   0  0  0  0  0
    8.4154  -27.4435    8.2730 C   0  0  0  0  0
    9.2830  -27.0296    7.2584 C   0  0  0  0  0
   10.5390  -27.9842    3.7194 C   0  0  0  0  0
   11.8547  -28.4488    3.5309 C   0  0  0  0  0
   12.1878  -29.2628    2.4449 C   0  0  0  0  0
   11.2109  -29.6327    1.5267 C   0  0  0  0  0
    9.9076  -29.1746    1.6870 C   0  0  0  0  0
    9.5815  -28.3433    2.7622 C   0  0  0  0  0
    7.2860  -36.0991   -2.7865 H   0  0  0  0  0
    4.9278  -35.5652   -3.3403 H   0  0  0  0  0
    3.0975  -36.5323   -2.0269 H   0  0  0  0  0
    5.9874  -38.5223    0.4916 H   0  0  0  0  0
    7.7926  -37.5990   -0.8774 H   0  0  0  0  0
    2.3116  -37.9983   -0.3753 H   0  0  0  0  0
    4.6700  -39.6234    2.1221 H   0  0  0  0  0
    4.7807  -42.0556    2.3852 H   0  0  0  0  0
    3.4630  -43.5440    0.8999 H   0  0  0  0  0
    2.0172  -42.5616   -0.8618 H   0  0  0  0  0
    1.9014  -40.1211   -1.1604 H   0  0  0  0  0
    2.0977  -36.0881    2.6466 H   0  0  0  0  0
    0.2837  -35.4760    1.6491 H   0  0  0  0  0
    1.0694  -36.4691   -1.1009 H   0  0  0  0  0
    1.8911  -35.0946   -0.3628 H   0  0  0  0  0
   -0.3431  -33.9910   -0.0362 H   0  0  0  0  0
   -1.1292  -35.3654   -0.8000 H   0  0  0  0  0
    0.1197  -34.9770   -2.9015 H   0  0  0  0  0
    0.9896  -33.6220   -2.1919 H   0  0  0  0  0
   -1.4130  -33.4613   -3.4599 H   0  0  0  0  0
    0.1944  -31.9872   -0.8859 H   0  0  0  0  0
   -2.5195  -30.5872   -2.2454 H   0  0  0  0  0
   -3.1198  -32.0372   -2.7860 H   0  0  0  0  0
   -1.7602  -38.4392    1.8467 H   0  0  0  0  0
   -0.6049  -36.3787    3.5227 H   0  0  0  0  0
   -2.1125  -37.2724    3.7786 H   0  0  0  0  0
   -3.6506  -36.6316    1.2520 H   0  0  0  0  0
   -4.9482  -34.6764    0.5384 H   0  0  0  0  0
   -2.5804  -32.1540    3.1103 H   0  0  0  0  0
   -1.3038  -34.1185    3.8533 H   0  0  0  0  0
   -4.4161  -31.1864    1.8944 H   0  0  0  0  0
   -5.7028  -32.2598    1.3365 H   0  0  0  0  0
   -3.7451  -32.5029   -0.5500 H   0  0  0  0  0
   -6.5123  -29.8381   -1.2527 H   0  0  0  0  0
   -4.3570  -29.2934    0.7260 H   0  0  0  0  0
   -5.8892  -28.4023    0.6263 H   0  0  0  0  0
   -5.3352  -27.6034   -1.6305 H   0  0  0  0  0
   -3.9099  -28.6299   -1.7106 H   0  0  0  0  0
   -2.8340  -27.3770    0.1297 H   0  0  0  0  0
   -4.2665  -26.3764    0.3361 H   0  0  0  0  0
   -3.9972  -25.3945   -1.9022 H   0  0  0  0  0
   -2.6687  -26.4999   -2.2777 H   0  0  0  0  0
   -2.6561  -24.2172   -0.3638 H   0  0  0  0  0
   -0.6198  -27.1186   -1.3919 H   0  0  0  0  0
    0.8792  -26.2265   -1.1153 H   0  0  0  0  0
   -0.8506  -26.1592   -3.5308 H   0  0  0  0  0
    1.7316  -24.2212   -1.9224 H   0  0  0  0  0
    2.3668  -23.6558   -3.4467 H   0  0  0  0  0
    2.6894  -26.6211   -2.8727 H   0  0  0  0  0
    3.6030  -25.5347   -1.8132 H   0  0  0  0  0
    5.7718  -26.3394   -4.7492 H   0  0  0  0  0
    4.5980  -27.7914   -2.4766 H   0  0  0  0  0
    5.9313  -28.3163   -3.5109 H   0  0  0  0  0
    4.5461  -29.4138   -4.9976 H   0  0  0  0  0
    3.4248  -28.0708   -5.0399 H   0  0  0  0  0
    1.3589  -30.7873   -3.7371 H   0  0  0  0  0
    2.2652  -30.5147   -5.2217 H   0  0  0  0  0
    1.3027  -28.0832   -5.1748 H   0  0  0  0  0
    0.3614  -28.5843   -3.7680 H   0  0  0  0  0
    0.2371  -29.7466   -6.4628 H   0  0  0  0  0
   -0.8427  -28.7249   -5.8078 H   0  0  0  0  0
    4.7617  -30.4445   -2.7203 H   0  0  0  0  0
    3.5116  -31.5453   -3.2396 H   0  0  0  0  0
    2.0653  -30.4011   -1.2926 H   0  0  0  0  0
    3.6170  -29.7415   -0.7774 H   0  0  0  0  0
    3.3442  -32.6688   -1.1399 H   0  0  0  0  0
    2.7454  -29.9341    1.1118 H   0  0  0  0  0
    4.0530  -30.7041    2.0227 H   0  0  0  0  0
    1.2536  -31.7560    2.4975 H   0  0  0  0  0
    1.5111  -30.0579    2.9252 H   0  0  0  0  0
    2.1702  -31.8747    6.0146 H   0  0  0  0  0
   -0.0683  -32.1489    4.2994 H   0  0  0  0  0
    0.0392  -30.4486    4.7405 H   0  0  0  0  0
   -0.8447  -31.1935    8.2299 H   0  0  0  0  0
    1.0419  -29.4615    6.7691 H   0  0  0  0  0
    0.3856  -29.2539    8.4013 H   0  0  0  0  0
   -1.8637  -28.6826    7.3725 H   0  0  0  0  0
   -1.1378  -28.7702    5.7761 H   0  0  0  0  0
    0.4954  -26.9395    6.4641 H   0  0  0  0  0
   -0.3248  -26.8466    8.0186 H   0  0  0  0  0
   -2.5030  -26.3646    6.7494 H   0  0  0  0  0
   -1.5485  -26.2509    5.2662 H   0  0  0  0  0
   -1.7043  -24.3820    7.5192 H   0  0  0  0  0
    0.3374  -25.1060    4.8063 H   0  0  0  0  0
    0.0680  -22.2429    4.0077 H   0  0  0  0  0
    0.4424  -23.6038    2.9320 H   0  0  0  0  0
    2.0477  -23.2876    6.3204 H   0  0  0  0  0
    4.4110  -22.8073    6.6453 H   0  0  0  0  0
    4.8232  -21.9590    2.4327 H   0  0  0  0  0
    2.4505  -22.4795    2.1038 H   0  0  0  0  0
    6.3318  -20.9910    5.0882 H   0  0  0  0  0
    6.8449  -22.0912    3.8200 H   0  0  0  0  0
    6.9240  -22.4393    6.6924 H   0  0  0  0  0
    7.5067  -26.0219    4.9109 H   0  0  0  0  0
    7.0258  -23.8349    2.8568 H   0  0  0  0  0
    5.7445  -24.7669    3.6645 H   0  0  0  0  0
    6.6934  -26.8384    2.7316 H   0  0  0  0  0
    7.9849  -25.9196    1.9464 H   0  0  0  0  0
    6.2693  -24.6382    0.6360 H   0  0  0  0  0
    4.9902  -25.6031    1.3619 H   0  0  0  0  0
    6.9718  -26.3934   -0.6368 H   0  0  0  0  0
    4.7268  -27.7412    1.5713 H   0  0  0  0  0
    7.6624  -28.5158   -0.7090 H   0  0  0  0  0
    6.5332  -29.7006   -0.3967 H   0  0  0  0  0
    9.3891  -23.9138    3.9791 H   0  0  0  0  0
   11.1541  -27.1325    5.5173 H   0  0  0  0  0
    8.1853  -29.1034    4.7904 H   0  0  0  0  0
    6.6635  -29.7805    6.5521 H   0  0  0  0  0
    6.7884  -28.7463    8.8055 H   0  0  0  0  0
    8.4811  -26.9864    9.2565 H   0  0  0  0  0
   10.0078  -26.2492    7.4886 H   0  0  0  0  0
   12.6410  -28.1737    4.2324 H   0  0  0  0  0
   13.2101  -29.6110    2.3234 H   0  0  0  0  0
   11.4658  -30.2803    0.6922 H   0  0  0  0  0
    9.1370  -29.4771    0.9855 H   0  0  0  0  0
    8.5550  -28.0112    2.8593 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1119  1  0  0  0
  2  3  1  0  0  0
  2120  1  0  0  0
  3  4  2  0  0  0
  3121  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5122  1  0  0  0
  6123  1  0  0  0
  7 14  1  0  0  0
  7  8  1  0  0  0
  7124  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9125  1  0  0  0
 10 11  2  0  0  0
 10126  1  0  0  0
 11 12  1  0  0  0
 11127  1  0  0  0
 12 13  2  0  0  0
 12128  1  0  0  0
 13129  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16130  1  0  0  0
 17 25  1  0  0  0
 17 18  1  0  0  0
 17131  1  0  0  0
 18 19  1  0  0  0
 18132  1  0  0  0
 18133  1  0  0  0
 19 20  1  0  0  0
 19134  1  0  0  0
 19135  1  0  0  0
 20 21  1  0  0  0
 20136  1  0  0  0
 20137  1  0  0  0
 21 22  1  0  0  0
 21138  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 23139  1  0  0  0
 24140  1  0  0  0
 24141  1  0  0  0
 25 27  1  0  0  0
 25 26  2  0  0  0
 27 28  1  0  0  0
 27142  1  0  0  0
 28 29  1  0  0  0
 28143  1  0  0  0
 28144  1  0  0  0
 29 30  2  0  0  0
 29 34  1  0  0  0
 30 31  1  0  0  0
 30145  1  0  0  0
 31 32  2  0  0  0
 31146  1  0  0  0
 32 33  1  0  0  0
 32 35  1  0  0  0
 33 34  2  0  0  0
 33147  1  0  0  0
 34148  1  0  0  0
 35 36  1  0  0  0
 35149  1  0  0  0
 35150  1  0  0  0
 36 37  1  0  0  0
 36151  1  0  0  0
 37 39  1  0  0  0
 37 38  2  0  0  0
 39 40  1  0  0  0
 39152  1  0  0  0
 40 41  1  0  0  0
 40153  1  0  0  0
 40154  1  0  0  0
 41 42  1  0  0  0
 41155  1  0  0  0
 41156  1  0  0  0
 42 43  1  0  0  0
 42157  1  0  0  0
 42158  1  0  0  0
 43 44  1  0  0  0
 43159  1  0  0  0
 43160  1  0  0  0
 44 45  1  0  0  0
 44161  1  0  0  0
 45 47  1  0  0  0
 45 46  2  0  0  0
 47 48  1  0  0  0
 47162  1  0  0  0
 47163  1  0  0  0
 48 49  1  0  0  0
 48164  1  0  0  0
 49 51  1  0  0  0
 49 50  2  0  0  0
 51 52  1  0  0  0
 51165  1  0  0  0
 51166  1  0  0  0
 52 53  1  0  0  0
 52167  1  0  0  0
 52168  1  0  0  0
 53 55  1  0  0  0
 53 54  2  0  0  0
 55 56  1  0  0  0
 55169  1  0  0  0
 56 57  1  0  0  0
 56170  1  0  0  0
 56171  1  0  0  0
 57 58  1  0  0  0
 57172  1  0  0  0
 57173  1  0  0  0
 58 62  1  0  0  0
 58 59  1  0  0  0
 59 60  1  0  0  0
 59174  1  0  0  0
 59175  1  0  0  0
 60 61  1  0  0  0
 60176  1  0  0  0
 60177  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
 67 68  1  0  0  0
 67185  1  0  0  0
 67186  1  0  0  0
 68 69  1  0  0  0
 68187  1  0  0  0
 68188  1  0  0  0
 69 71  1  0  0  0
 69 70  2  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
 73 75  1  0  0  0
 73 74  2  0  0  0
 75 76  1  0  0  0
 75192  1  0  0  0
 76 77  1  0  0  0
 76193  1  0  0  0
 76194  1  0  0  0
 77 78  1  0  0  0
 77195  1  0  0  0
 77196  1  0  0  0
 78 79  1  0  0  0
 78197  1  0  0  0
 78198  1  0  0  0
 79 80  1  0  0  0
 79199  1  0  0  0
 79200  1  0  0  0
 80 81  1  0  0  0
 80201  1  0  0  0
 81 83  1  0  0  0
 81 82  2  0  0  0
 83 84  1  0  0  0
 83202  1  0  0  0
 84 85  1  0  0  0
 84203  1  0  0  0
 84204  1  0  0  0
 85 86  2  0  0  0
 85 90  1  0  0  0
 86 87  1  0  0  0
 86205  1  0  0  0
 87 88  2  0  0  0
 87206  1  0  0  0
 88 89  1  0  0  0
 88 91  1  0  0  0
 89 90  2  0  0  0
 89207  1  0  0  0
 90208  1  0  0  0
 91 92  1  0  0  0
 91209  1  0  0  0
 91210  1  0  0  0
 92 93  1  0  0  0
 92211  1  0  0  0
 93 95  1  0  0  0
 93 94  2  0  0  0
 95103  1  0  0  0
 95 96  1  0  0  0
 95212  1  0  0  0
 96 97  1  0  0  0
 96213  1  0  0  0
 96214  1  0  0  0
 97 98  1  0  0  0
 97215  1  0  0  0
 97216  1  0  0  0
 98 99  1  0  0  0
 98217  1  0  0  0
 98218  1  0  0  0
 99100  1  0  0  0
 99219  1  0  0  0
100102  1  0  0  0
100101  2  0  0  0
101220  1  0  0  0
102221  1  0  0  0
102222  1  0  0  0
103104  1  0  0  0
103223  1  0  0  0
104106  1  0  0  0
104105  2  0  0  0
106113  1  0  0  0
106107  1  0  0  0
106224  1  0  0  0
107108  2  0  0  0
107112  1  0  0  0
108109  1  0  0  0
108225  1  0  0  0
109110  2  0  0  0
109226  1  0  0  0
110111  1  0  0  0
110227  1  0  0  0
111112  2  0  0  0
111228  1  0  0  0
112229  1  0  0  0
113114  2  0  0  0
113118  1  0  0  0
114115  1  0  0  0
114230  1  0  0  0
115116  2  0  0  0
115231  1  0  0  0
116117  1  0  0  0
116232  1  0  0  0
117118  2  0  0  0
117233  1  0  0  0
118234  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3040691

>  <PubChem CID>
72205873

>  <Formula>
C84H116N22O12

>  <Molecular Weight>
1625.994000

>  <IUPAC Name>


>  <XlogP>
0.4

>  <Hydrogen Bond Donors>
21

>  <Hydrogen Bond Acceptors>
16

>  <Canonical SMILES>
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CCCNC(=N)N)C(=O)NCC3=CC=C(C=C3)CNC(=O)NCCCCNC(=O)CNC(=O)CCC(=O)NCCN(CCN)CCNC(=O)CCC(=O)NCC(=O)NCCCCNC(=O)NCC4=CC=C(C=C4)CNC(=O)C(CCCNC(=N)N)NC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6

>  <Isomeric SMILES>
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCC3=CC=C(C=C3)CNC(=O)NCCCCNC(=O)CNC(=O)CCC(=O)NCCN(CCN)CCNC(=O)CCC(=O)NCC(=O)NCCCCNC(=O)NCC4=CC=C(C=C4)CNC(=O)[C@@H](CCCNC(=N)N)NC(=O)C(C5=CC=CC=C5)C6=CC=CC=C6

>  <InChI Std. ID>
InChI=1S/C84H116N22O12/c85-41-50-106(51-48-92-69(107)37-39-71(109)98-57-73(111)90-42-13-15-44-96-83(117)102-55-61-33-29-59(30-34-61)53-100-77(113)67(27-17-46-94-81(86)87)104-79(115)75(63-19-5-1-6-20-63)64-21-7-2-8-22-64)52-49-93-70(108)38-40-72(110)99-58-74(112)91-43-14-16-45-97-84(118)103-56-62-35-31-60(32-36-62)54-101-78(114)68(28-18-47-95-82(88)89)105-80(116)76(65-23-9-3-10-24-65)66-25-11-4-12-26-66/h1-12,19-26,29-36,67-68,75-76H,13-18,27-28,37-58,85H2,(H,90,111)(H,91,112)(H,92,107)(H,93,108)(H,98,109)(H,99,110)(H,100,113)(H,101,114)(H,104,115)(H,105,116)(H4,86,87,94)(H4,88,89,95)(H2,96,102,117)(H2,97,103,118)/t67-,68-/m1/s1

>  <InChI Key>
LQKSBGRJEVVGPS-OQFFVEAFSA-N

