CDK 1030232202 80 86 0 0 0 0 0 0 0 0999 V2000 4.8011 -3.3957 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4656 -2.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6586 -2.4705 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8781 -1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0455 -3.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 -1.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4378 -1.2432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6829 1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2704 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5245 0.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2893 -1.1851 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3974 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0174 0.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2273 0.6564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -2.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3974 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1118 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0323 0.8368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0658 -2.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8524 0.7460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9869 1.6605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8018 -3.1697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4229 -3.4620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0768 1.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5984 0.3939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2508 2.0331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6775 2.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1008 -3.9321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2337 -3.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1898 -0.1814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5601 1.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2053 2.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8947 -4.1565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8632 -4.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0384 -4.7403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5623 -0.9174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8545 0.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 1.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4692 3.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -4.9765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7184 -4.1111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4317 -5.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3497 -0.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6756 -1.7346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7638 1.1272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2214 2.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4828 -3.8006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8989 -4.9161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0795 -6.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5175 -2.5443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0952 1.8827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2752 1.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1050 -3.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6862 -5.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2919 -5.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7426 -6.2325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2901 -2.8336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7600 2.3714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7418 -3.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8666 -5.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9269 -2.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4259 -3.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5154 2.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6692 3.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7911 -1.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6995 -2.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4280 -0.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3364 -2.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2006 -1.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 16 13 1 6 0 0 0 17 15 1 6 0 0 0 18 16 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 21 17 1 0 0 0 0 18 22 1 1 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 21 26 1 1 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 29 24 1 6 0 0 0 25 30 1 0 0 0 0 29 31 1 0 0 0 0 32 29 1 0 0 0 0 30 33 2 0 0 0 0 34 30 1 0 0 0 0 31 35 2 0 0 0 0 31 36 1 0 0 0 0 32 37 1 0 0 0 0 32 38 1 6 0 0 0 34 39 1 6 0 0 0 34 40 1 0 0 0 0 41 36 1 0 0 0 0 37 42 2 0 0 0 0 37 43 1 0 0 0 0 39 44 1 0 0 0 0 39 45 1 0 0 0 0 46 40 1 0 0 0 0 41 47 1 0 0 0 0 41 48 1 1 0 0 0 42 49 1 0 0 0 0 43 50 2 0 0 0 0 44 51 2 0 0 0 0 52 44 1 0 0 0 0 46 53 1 6 0 0 0 47 54 2 0 0 0 0 47 55 1 0 0 0 0 56 48 1 1 0 0 0 49 57 2 0 0 0 0 52 58 1 6 0 0 0 59 52 1 0 0 0 0 53 60 2 0 0 0 0 61 55 1 6 0 0 0 62 56 1 0 0 0 0 56 63 1 0 0 0 0 58 64 1 0 0 0 0 59 65 1 0 0 0 0 59 66 1 1 0 0 0 60 67 1 0 0 0 0 68 61 1 0 0 0 0 62 69 1 6 0 0 0 64 70 2 0 0 0 0 65 71 1 0 0 0 0 68 72 1 0 0 0 0 68 73 1 6 0 0 0 69 74 2 0 0 0 0 69 75 1 0 0 0 0 72 76 2 0 0 0 0 72 77 1 0 0 0 0 76 78 1 0 0 0 0 77 79 2 0 0 0 0 78 80 2 0 0 0 0 6 7 2 0 0 0 0 18 19 1 0 0 0 0 45 46 1 0 0 0 0 50 57 1 0 0 0 0 61 64 1 0 0 0 0 62 63 1 0 0 0 0 79 80 1 0 0 0 0 M CHG 1 22 1 M CHG 1 28 -1 M CHG 1 69 1 M CHG 1 75 -1 M END > CHEBI:219469 > Hormaomycin > 2 > N-[(2S)-1-[[(3S,6S,9R,12S,15R,16R,19S,21R)-3-[(2S)-butan-2-yl]-16-methyl-9-[[(1R,2R)-2-nitrocyclopropyl]methyl]-2,5,8,11,14,18-hexaoxo-6,12-bis[(1R)-1-phenylethyl]-21-[(Z)-prop-1-enyl]-17-oxa-1,4,7,10,13-pentazabicyclo[17.3.0]docosan-15-yl]amino]-3-[(1R,2R)-2-nitrocyclopropyl]-1-oxopropan-2-yl]-5-chloro-1-hydroxypyrrole-2-carboxamide > C55H69ClN10O14 > 1129.660 > 1128.46832 > 0 > ClC=1N(O)C(C(=O)N[C@H](C(=O)N[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H]([C@@H](C3=CC=CC=C3)C)C(N[C@H](C(N4[C@H](C(O[C@@H]2C)=O)C[C@H](/C=C\C)C4)=O)[C@H](CC)C)=O)C[C@H]5[C@H]([N+](=O)[O-])C5)[C@@H](C6=CC=CC=C6)C)C[C@H]7[C@H]([N+](=O)[O-])C7)=CC1 > InChI=1S/C55H69ClN10O14/c1-7-15-32-22-42-55(74)80-31(6)47(62-49(68)37(23-35-25-40(35)65(76)77)57-50(69)39-20-21-43(56)64(39)75)53(72)61-45(29(4)33-16-11-9-12-17-33)51(70)58-38(24-36-26-41(36)66(78)79)48(67)60-46(30(5)34-18-13-10-14-19-34)52(71)59-44(28(3)8-2)54(73)63(42)27-32/h7,9-21,28-32,35-38,40-42,44-47,75H,8,22-27H2,1-6H3,(H,57,69)(H,58,70)(H,59,71)(H,60,67)(H,61,72)(H,62,68)/b15-7-/t28-,29+,30+,31+,32-,35+,36+,37-,38+,40+,41+,42-,44-,45-,46-,47+/m0/s1 > YOUXQVRIWHZWQN-DKPCRMJRSA-N $$$$