WHWLQLKPGQPMY

Properties Image Occurences in reactions MNX_ID MNXM9247 #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0 formula C80H107N19O19S charge 0 mass 1669.77113 reference chebi:79382 InChIKey IXKSXJFAGXLQOQ-XISFHERQSA-N InChI InChI=1S/C80H107N19O19S/c1-42(2)30-57(93-74(111)58(34-46-38-86-53-15-9-7-13-50(46)53)94-75(112)59(35-47-39-84-41-88-47)92-69(106)51(81)33-45-37-85-52-14-8-6-12-49(45)52)73(110)90-55(23-25-66(83)102)71(108)95-60(31-43(3)4)78(115)98-27-10-16-63(98)76(113)87-40-67(103)89-54(22-24-65(82)101)70(107)96-61(36-68(104)105)79(116)99-28-11-17-64(99)77(114)91-56(26-29-119-5)72(109)97-62(80(117)118)32-44-18-20-48(100)21-19-44/h6-9,12-15,18-21,37-39,41-43,51,54-64,85-86,100H,10-11,16-17,22-36,40,81H2,1-5H3,(H2,82,101)(H2,83,102)(H,84,88)(H,87,113)(H,89,103)(H,90,110)(H,91,114)(H,92,106)(H,93,111)(H,94,112)(H,95,108)(H,96,107)(H,97,109)(H,104,105)(H,117,118)/t51-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph