Met-His-Gly

Properties Image MNX_ID MNXM1123378 reference chebi:160779 formula C13H21N5O4S global charge 0 mol weight 343.409 InChIKey WXJXYMFUTRXRGO-UWVGGRQHSA-N InChI InChI=1S/C13H21N5O4S/c1-23-3-2-9(14)12(21)18-10(4-8-5-15-7-17-8)13(22)16-6-11(19)20/h5,7,9-10H,2-4,6,14H2,1H3,(H,15,17)(H,16,22)(H,18,21)(H,19,20)/t9-,10-/m0/s1 SMILES CSCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=O)O MNX internals InChI (mnx) InChI=1/C13H21N5O4S/c1-23-3-2-9(14)12(21)18-10(4-8-5-15-7-17-8)13(22)16-6-11(19)20/h5,7,9-10H,2-4,6,14H2,1H3,(H,15,17)(H,16,22)(H,18,21)(H,19,20)/t9-,10-/m0/s1 SMILES (mnx) [CH3:1][S:23][CH2:3][CH2:2][C@@H:9]([C:12](=[N:18][C@@H:10]([CH2:4][C:8]1=[CH:5][N:15]=[CH:7][NH:17]1)[C:13](=[N:16][CH2:6][C:11](=[O:19])[OH:20])[OH:22])[OH:21])[NH2:14]

Parent-child relations graph

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