Ala-Met-His

Properties Image MNX_ID MNXM1120992 reference chebi:158379 formula C14H23N5O4S global charge 0 mol weight 357.436 InChIKey MAEQBGQTDWDSJQ-LSJOCFKGSA-N InChI InChI=1S/C14H23N5O4S/c1-8(15)12(20)18-10(3-4-24-2)13(21)19-11(14(22)23)5-9-6-16-7-17-9/h6-8,10-11H,3-5,15H2,1-2H3,(H,16,17)(H,18,20)(H,19,21)(H,22,23)/t8-,10-,11-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C14H23N5O4S/c1-8(15)12(20)18-10(3-4-24-2)13(21)19-11(14(22)23)5-9-6-16-7-17-9/h6-8,10-11H,3-5,15H2,1-2H3,(H,16,17)(H,18,20)(H,19,21)(H,22,23)/t8-,10-,11-/m0/s1 SMILES (mnx) [CH3:1][C@@H:8]([C:12](=[N:18][C@@H:10]([CH2:3][CH2:4][S:24][CH3:2])[C:13](=[N:19][C@@H:11]([CH2:5][C:9]1=[CH:6][N:16]=[CH:7][NH:17]1)[C:14](=[O:22])[OH:23])[OH:21])[OH:20])[NH2:15]

Parent-child relations graph

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