Mrv1909 05201914432D 179179 0 0 0 0 999 V2000 1.0634 -2.7069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9262 8.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8148 8.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2787 -5.7216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3555 -7.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5647 6.7253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6374 -7.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5249 -2.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6546 -4.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9995 -1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2081 0.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3698 -1.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0100 3.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1426 0.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2739 7.6622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0567 -4.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -7.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6760 5.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9730 -6.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1893 -3.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7408 -3.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3321 -0.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4011 0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3577 2.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4282 1.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2875 -0.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4671 9.4900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0992 -5.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0199 -8.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2170 7.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1223 -8.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0399 -1.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3220 -5.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7532 -1.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7601 1.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9218 -2.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7736 3.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8571 1.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4284 5.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2711 3.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4296 2.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7279 -3.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8772 -4.8817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3852 6.8448 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5115 -6.9702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0238 5.4027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4880 -6.0441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6742 -3.8693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0734 -3.4475 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5784 -1.3216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8491 0.1194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0727 -0.4242 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5941 3.2627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7137 0.8423 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5730 0.8423 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3171 6.1468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5260 2.5647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4296 1.2548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2875 -1.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7761 4.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3622 -5.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2602 5.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 -6.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8236 -5.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4947 -3.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1596 -2.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9110 -0.8367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1346 0.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2657 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4828 4.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 6.3396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 1.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2875 1.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1783 3.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1441 0.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5535 6.4591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2552 -6.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -9.4037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7579 8.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2717 -9.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1206 -0.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9032 -6.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1743 -1.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1191 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7531 -4.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1895 3.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 1.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3558 10.3074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 -1.6326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 5.1365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5908 -7.4014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7402 -5.9803 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6511 -10.0712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9565 -9.4900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5215 8.2407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6466 9.3705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0922 -9.4675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9361 -10.3074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3136 -0.0709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6726 0.3705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6569 -6.2077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8170 -7.3637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2606 -0.4643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8418 -1.7697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8642 2.4002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9261 1.4441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 -4.8247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9246 -4.8471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3008 2.5185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.8418 3.8411 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0005 0.8423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 2.0798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4347 -6.5615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8005 -8.6501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1056 8.0479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7868 -8.8863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3755 -1.0271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2358 -6.0583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4206 -1.6204 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5671 1.0025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6669 -3.2196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4259 3.6483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5716 0.8423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2128 -4.1280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1488 6.5325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0266 -6.3028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6676 -6.1303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3387 -4.6230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3197 -3.7831 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 -2.1421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1040 -0.6652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3276 0.3603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1351 4.5853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7137 0.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9419 2.7575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8586 1.2548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9694 6.6520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7152 0.8423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2875 2.0798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0925 -3.5468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 -1.6326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 4.0068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1826 -5.4629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6079 5.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8169 -7.5514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -5.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0822 -3.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9133 -2.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9972 -0.0162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9192 0.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0108 -1.3803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7192 4.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8443 5.5222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 2.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 0.8423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0669 3.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1441 0.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4422 7.2766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9012 5.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4461 3.3493 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1912 2.5647 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5417 -5.6354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6216 7.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9964 -7.6377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9124 6.2202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3085 -5.9579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1591 -4.5367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8271 -3.1119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6647 -0.5011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 -0.0521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8177 -1.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2464 3.7678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7137 1.6673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2875 0.4298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6648 5.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8737 2.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4296 0.4298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 15 2 1 0 0 0 0 16 4 1 0 0 0 0 17 5 1 0 0 0 0 18 6 1 0 0 0 0 19 7 1 0 0 0 0 20 8 1 0 0 0 0 21 9 1 0 0 0 0 22 10 1 0 0 0 0 23 11 1 0 0 0 0 24 12 1 0 0 0 0 25 13 1 0 0 0 0 26 14 1 0 0 0 0 28 27 1 0 0 0 0 29 3 1 0 0 0 0 30 4 1 0 0 0 0 31 5 1 0 0 0 0 32 6 1 0 0 0 0 33 7 1 0 0 0 0 34 8 1 0 0 0 0 35 9 1 0 0 0 0 36 10 1 0 0 0 0 37 11 1 0 0 0 0 38 12 1 0 0 0 0 39 13 1 0 0 0 0 40 14 1 0 0 0 0 44 1 1 4 0 0 0 45 16 1 0 0 0 0 46 15 1 0 0 0 0 47 17 1 0 0 0 0 48 18 1 0 0 0 0 49 19 1 0 0 0 0 50 20 1 0 0 0 0 51 21 1 0 0 0 0 52 22 1 0 0 0 0 53 23 1 0 0 0 0 54 24 1 0 0 0 0 55 25 1 0 0 0 0 56 26 1 0 0 0 0 57 27 1 0 0 0 0 58 41 1 0 0 0 0 59 42 1 0 0 0 0 60 43 1 0 0 0 0 61 28 1 0 0 0 0 62 41 1 0 0 0 0 45 63 1 0 0 0 0 48 64 1 0 0 0 0 47 65 1 0 0 0 0 49 66 1 0 0 0 0 50 67 1 0 0 0 0 51 68 1 0 0 0 0 52 69 1 0 0 0 0 53 70 1 0 0 0 0 54 71 1 0 0 0 0 55 72 1 0 0 0 0 46 73 1 0 0 0 0 56 74 1 0 0 0 0 57 75 1 0 0 0 0 59 76 1 0 0 0 0 60 77 1 0 0 0 0 58 78 1 0 0 0 0 90 29 1 0 0 0 0 91 61 2 0 0 0 0 92 62 2 0 0 0 0 93 79 2 0 0 0 0 94 79 1 0 0 0 0 95 80 2 0 0 0 0 96 80 1 0 0 0 0 97 81 2 0 0 0 0 98 81 1 0 0 0 0 99 82 2 0 0 0 0 100 82 1 0 0 0 0 101 83 2 0 0 0 0 102 83 1 0 0 0 0 103 84 2 0 0 0 0 104 84 1 0 0 0 0 105 85 2 0 0 0 0 106 85 1 0 0 0 0 107 86 2 0 0 0 0 108 86 1 0 0 0 0 109 87 2 0 0 0 0 110 87 1 0 0 0 0 111 88 2 0 0 0 0 112 88 1 0 0 0 0 113 89 2 0 0 0 0 114 89 1 0 0 0 0 115 30 1 0 0 0 0 115 79 1 0 0 0 0 116 31 1 0 0 0 0 116 80 1 0 0 0 0 117 32 1 0 0 0 0 117 81 1 0 0 0 0 118 33 1 0 0 0 0 118 82 1 0 0 0 0 119 34 1 0 0 0 0 119 83 1 0 0 0 0 120 35 1 0 0 0 0 120 84 1 0 0 0 0 121 36 1 0 0 0 0 121 85 1 0 0 0 0 122 37 1 0 0 0 0 122 86 1 0 0 0 0 123 38 1 0 0 0 0 123 87 1 0 0 0 0 124 39 1 0 0 0 0 124 88 1 0 0 0 0 125 40 1 0 0 0 0 125 89 1 0 0 0 0 126 44 2 0 0 0 0 45126 1 0 0 0 0 46127 1 0 0 0 0 127 64 2 0 0 0 0 47128 1 0 0 0 0 128 63 2 0 0 0 0 49129 1 0 0 0 0 129 65 2 0 0 0 0 50130 1 0 0 0 0 130 66 2 0 0 0 0 51131 1 0 0 0 0 131 67 2 0 0 0 0 52132 1 0 0 0 0 132 68 2 0 0 0 0 53133 1 1 0 0 0 133 69 2 0 0 0 0 54134 1 0 0 0 0 134 70 2 0 0 0 0 48135 1 0 0 0 0 135 72 2 0 0 0 0 56136 1 0 0 0 0 136 71 2 0 0 0 0 55137 1 0 0 0 0 137 76 2 0 0 0 0 57138 1 0 0 0 0 138 77 2 0 0 0 0 58139 1 0 0 0 0 139 73 2 0 0 0 0 60140 1 0 0 0 0 140 74 2 0 0 0 0 59141 1 1 0 0 0 141 75 2 0 0 0 0 142 44 1 0 0 0 0 143 61 1 0 0 0 0 144 62 1 0 0 0 0 63145 1 4 0 0 0 64146 1 4 0 0 0 65147 1 4 0 0 0 66148 1 4 0 0 0 67149 1 4 0 0 0 68150 1 4 0 0 0 69151 1 4 0 0 0 70152 1 4 0 0 0 71153 1 4 0 0 0 72154 1 4 0 0 0 73155 1 4 0 0 0 74156 1 4 0 0 0 75157 1 4 0 0 0 76158 1 4 0 0 0 77159 1 4 0 0 0 160 78 2 0 0 0 0 161 78 1 0 0 0 0 162 42 1 0 0 0 0 163 43 1 0 0 0 0 163162 1 0 0 0 0 45164 1 6 0 0 0 46165 1 1 0 0 0 47166 1 6 0 0 0 48167 1 1 0 0 0 49168 1 6 0 0 0 50169 1 1 0 0 0 51170 1 6 0 0 0 52171 1 6 0 0 0 53172 1 6 0 0 0 54173 1 1 0 0 0 55174 1 1 0 0 0 56175 1 6 0 0 0 57176 1 1 0 0 0 58177 1 6 0 0 0 59178 1 6 0 0 0 60179 1 6 0 0 0 M END > DB15008 > drugbank > [H][C@](CCCNC(N)=N)(N=C(C)O)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]1([H])CSSC[C@@]([H])(N=C(O)[C@@]([H])(CCC(O)=N)N=C1O)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCNC(N)=N)C(O)=N[C@]([H])(CCCCN)C(O)=N[C@]([H])(CC(O)=N)C(O)=O > InChI=1S/C89H170N52O20S2/c1-44(142)126-45(16-4-30-115-79(93)94)63(145)128-47(17-5-31-116-80(95)96)65(147)129-49(19-7-33-118-82(99)100)66(148)130-50(20-8-34-119-83(101)102)67(149)131-51(21-9-35-120-84(103)104)68(150)132-52(22-10-36-121-85(105)106)69(151)133-53(23-11-37-122-86(107)108)70(152)134-54(24-12-38-123-87(109)110)71(153)136-56(26-14-40-125-89(113)114)74(156)140-60-43-163-162-42-59(141-75(157)57(138-77(60)159)27-28-61(91)143)76(158)137-55(25-13-39-124-88(111)112)72(154)135-48(18-6-32-117-81(97)98)64(146)127-46(15-2-3-29-90)73(155)139-58(78(160)161)41-62(92)144/h45-60H,2-43,90H2,1H3,(H2,91,143)(H2,92,144)(H,126,142)(H,127,146)(H,128,145)(H,129,147)(H,130,148)(H,131,149)(H,132,150)(H,133,151)(H,134,152)(H,135,154)(H,136,153)(H,137,158)(H,138,159)(H,139,155)(H,140,156)(H,141,157)(H,160,161)(H4,93,94,115)(H4,95,96,116)(H4,97,98,117)(H4,99,100,118)(H4,101,102,119)(H4,103,104,120)(H4,105,106,121)(H4,107,108,122)(H4,109,110,123)(H4,111,112,124)(H4,113,114,125)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m1/s1 > MDQMFOHHSFMREL-YIYMUJAPSA-N > C89H170N52O20S2 > 2352.8 > 2351.33253843 > 72 > 333 > 242.72056065376321 > 0 > 55 > 0 > 0 > (2R)-2-{[(2R)-6-amino-2-{[(2R)-5-carbamimidamido-2-{[(2R)-5-carbamimidamido-2-({[(4S,7R,10S)-10-{[(2R)-5-carbamimidamido-2-{[(2R)-5-carbamimidamido-2-{[(2R)-5-carbamimidamido-2-{[(2R)-5-carbamimidamido-2-{[(2R)-5-carbamimidamido-2-{[(2R)-5-carbamimidamido-2-{[(2R)-5-carbamimidamido-2-{[(2R)-5-carbamimidamido-2-{[(2R)-5-carbamimidamido-1-hydroxy-2-[(1-hydroxyethylidene)amino]pentylidene]amino}-1-hydroxypentylidene]amino}-1-hydroxypentylidene]amino}-1-hydroxypentylidene]amino}-1-hydroxypentylidene]amino}-1-hydroxypentylidene]amino}-1-hydroxypentylidene]amino}-1-hydroxypentylidene]amino}-1-hydroxypentylidene]amino}-6,9-dihydroxy-7-[2-(C-hydroxycarbonimidoyl)ethyl]-1,2-dithia-5,8-diazacycloundeca-5,8-dien-4-yl](hydroxy)methylidene}amino)-1-hydroxypentylidene]amino}-1-hydroxypentylidene]amino}-1-hydroxyhexylidene]amino}-3-(C-hydroxycarbonimidoyl)propanoic acid > -0.57 > -7.023626591666663 > -3.97 > 0 > 1 > 3 > 12.797951205633163 > 1353.8200000000002 > 738.9659000000009 > 81 > 0 > 2.53e-01 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 > DB15008 > investigational > GO-203-2C > Acetyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-cysteinyl-D-glutaminyl-D-cysteinyl-D-arginyl-D-arginyl-D-lysyl-dasparaginylamide disulfide $$$$