(2R,3R)-2-{[(2R)-2-{[(2R)-2-amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-1-hydroxypropylidene]amino}-3-hydroxy-N-({[(1R)-1-{[(1S)-1-{[(1R)-1-(C-hydroxycarbonimidoyl)-3-(methylsulfanyl)propyl]-C-hydroxycarbonimidoyl}-2-phenylethyl]-C-hydroxycarbonimidoyl}-2-(1H-imidazol-5-yl)ethyl]-C-hydroxycarbonimidoyl}methyl)butanimidic acid

Properties Image MNX_ID MNXM1103727 reference chebi:184987 formula C40H53N11O8S global charge 0 mol weight 848 InChIKey MVOFLIKDVHKCBK-FVNKCRITSA-N InChI InChI=1S/C40H53N11O8S/c1-22(47-37(56)28(41)16-25-18-44-29-12-8-7-11-27(25)29)36(55)51-34(23(2)52)40(59)45-20-33(53)48-32(17-26-19-43-21-46-26)39(58)50-31(15-24-9-5-4-6-10-24)38(57)49-30(35(42)54)13-14-60-3/h4-12,18-19,21-23,28,30-32,34,44,52H,13-17,20,41H2,1-3H3,(H2,42,54)(H,43,46)(H,45,59)(H,47,56)(H,48,53)(H,49,57)(H,50,58)(H,51,55)/t22-,23-,28-,30-,31+,32-,34-/m1/s1 SMILES CSCC[C@@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](N)CC1=CNC2=C1C=CC=C2)[C@@H](C)O)C(N)=O MNX internals InChI (mnx) InChI=1/C40H53N11O8S/c1-22(47-37(56)28(41)16-25-18-44-29-12-8-7-11-27(25)29)36(55)51-34(23(2)52)40(59)45-20-33(53)48-32(17-26-19-43-21-46-26)39(58)50-31(15-24-9-5-4-6-10-24)38(57)49-30(35(42)54)13-14-60-3/h4-12,18-19,21-23,28,30-32,34,44,52H,13-17,20,41H2,1-3H3,(H2,42,54)(H,43,46)(H,45,59)(H,47,56)(H,48,53)(H,49,57)(H,50,58)(H,51,55)/t22-,23-,28-,30-,31+,32-,34-/m1/s1 SMILES (mnx) [CH3:1][C@H:22]([C:36](=[N:51][C@H:34]([C@@H:23]([CH3:2])[OH:52])[C:40](=[N:45][CH2:20][C:33](=[N:48][C@H:32]([CH2:17][C:26]1=[CH:19][N:43]=[CH:21][NH:46]1)[C:39](=[N:50][C@@H:31]([CH2:15][C:24]1=[CH:9][CH:5]=[CH:4][CH:6]=[CH:10]1)[C:38](=[N:49][C@H:30]([CH2:13][CH2:14][S:60][CH3:3])[C:35](=[NH:42])[OH:54])[OH:57])[OH:58])[OH:53])[OH:59])[OH:55])[N:47]=[C:37]([C@@H:28]([CH2:16][C:25]1=[CH:18][NH:44][C:29]2=[CH:12][CH:8]=[CH:7][CH:11]=[C:27]12)[NH2:41])[OH:56]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 2