(2S)-2-[[(2S)-4-carboxy-2-[[(2R)-2-[[2-[[(2S)-3-carboxy-2-[[(2S)-2-formamido-4-(methylthio)-1-oxobutyl]amino]-1-oxopropyl]amino]-1-oxoethyl]amino]-3-mercapto-1-oxopropyl]amino]-1-oxobutyl]amino]-4-methylpentanoic acid

Properties Image MNX_ID MNXM171154 reference chebi:125492 formula C26H42N6O12S2 global charge 0 mol weight 694.786 InChIKey WFZPJYYCTSHDJI-ATIWLJMLSA-N InChI InChI=1S/C26H42N6O12S2/c1-13(2)8-17(26(43)44)32-24(41)15(4-5-20(35)36)30-25(42)18(11-45)29-19(34)10-27-22(39)16(9-21(37)38)31-23(40)14(28-12-33)6-7-46-3/h12-18,45H,4-11H2,1-3H3,(H,27,39)(H,28,33)(H,29,34)(H,30,42)(H,31,40)(H,32,41)(H,35,36)(H,37,38)(H,43,44)/t14-,15-,16-,17-,18-/m0/s1 SMILES CSCC[C@H](NC=O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O MNX internals InChI (mnx) InChI=1/C26H42N6O12S2/c1-13(2)8-17(26(43)44)32-24(41)15(4-5-20(35)36)30-25(42)18(11-45)29-19(34)10-27-22(39)16(9-21(37)38)31-23(40)14(28-12-33)6-7-46-3/h12-18,45H,4-11H2,1-3H3,(H,27,39)(H,28,33)(H,29,34)(H,30,42)(H,31,40)(H,32,41)(H,35,36)(H,37,38)(H,43,44)/t14-,15-,16-,17-,18-/m0/s1 SMILES (mnx) [CH3:1][CH:13]([CH3:2])[CH2:8][C@@H:17]([C:26](=[O:43])[OH:44])[N:32]=[C:24]([C@H:15]([CH2:4][CH2:5][C:20](=[O:35])[OH:36])[N:30]=[C:25]([C@H:18]([CH2:11][SH:45])[N:29]=[C:19]([CH2:10][N:27]=[C:22]([C@H:16]([CH2:9][C:21](=[O:37])[OH:38])[N:31]=[C:23]([C@H:14]([CH2:6][CH2:7][S:46][CH3:3])[N:28]=[CH:12][OH:33])[OH:40])[OH:39])[OH:34])[OH:42])[OH:41]

Parent-child relations graph

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