His-Val-Met

Properties Image MNX_ID MNXM1120730 reference chebi:158111 formula C16H27N5O4S global charge 0 mol weight 385.49 InChIKey MCGOGXFMKHPMSQ-AVGNSLFASA-N InChI InChI=1S/C16H27N5O4S/c1-9(2)13(15(23)20-12(16(24)25)4-5-26-3)21-14(22)11(17)6-10-7-18-8-19-10/h7-9,11-13H,4-6,17H2,1-3H3,(H,18,19)(H,20,23)(H,21,22)(H,24,25)/t11-,12-,13-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC1=CN=CN1)C(C)C)C(=O)O MNX internals InChI (mnx) InChI=1/C16H27N5O4S/c1-9(2)13(15(23)20-12(16(24)25)4-5-26-3)21-14(22)11(17)6-10-7-18-8-19-10/h7-9,11-13H,4-6,17H2,1-3H3,(H,18,19)(H,20,23)(H,21,22)(H,24,25)/t11-,12-,13-/m0/s1 SMILES (mnx) [CH3:1][CH:9]([CH3:2])[C@@H:13]([C:15](=[N:20][C@@H:12]([CH2:4][CH2:5][S:26][CH3:3])[C:16](=[O:24])[OH:25])[OH:23])[N:21]=[C:14]([C@H:11]([CH2:6][C:10]1=[CH:7][N:18]=[CH:8][NH:19]1)[NH2:17])[OH:22]

Parent-child relations graph

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