Met-Met-Glu

Properties Image MNX_ID MNXM1123537 reference chebi:160938 formula C15H27N3O6S2 global charge 0 mol weight 409.53 InChIKey UDOYVQQKQHZYMB-DCAQKATOSA-N InChI InChI=1S/C15H27N3O6S2/c1-25-7-5-9(16)13(21)17-10(6-8-26-2)14(22)18-11(15(23)24)3-4-12(19)20/h9-11H,3-8,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)/t9-,10-,11-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C15H27N3O6S2/c1-25-7-5-9(16)13(21)17-10(6-8-26-2)14(22)18-11(15(23)24)3-4-12(19)20/h9-11H,3-8,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)/t9-,10-,11-/m0/s1 SMILES (mnx) [CH3:1][S:25][CH2:7][CH2:5][C@@H:9]([C:13](=[N:17][C@@H:10]([CH2:6][CH2:8][S:26][CH3:2])[C:14](=[N:18][C@@H:11]([CH2:3][CH2:4][C:12](=[O:19])[OH:20])[C:15](=[O:23])[OH:24])[OH:22])[OH:21])[NH2:16]

Parent-child relations graph

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