His-Ala-Met

Properties Image MNX_ID MNXM1126796 reference chebi:164212 formula C14H23N5O4S global charge 0 mol weight 357.436 InChIKey MBSSHYPAEHPSGY-LSJOCFKGSA-N InChI InChI=1S/C14H23N5O4S/c1-8(12(20)19-11(14(22)23)3-4-24-2)18-13(21)10(15)5-9-6-16-7-17-9/h6-8,10-11H,3-5,15H2,1-2H3,(H,16,17)(H,18,21)(H,19,20)(H,22,23)/t8-,10-,11-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C14H23N5O4S/c1-8(12(20)19-11(14(22)23)3-4-24-2)18-13(21)10(15)5-9-6-16-7-17-9/h6-8,10-11H,3-5,15H2,1-2H3,(H,16,17)(H,18,21)(H,19,20)(H,22,23)/t8-,10-,11-/m0/s1 SMILES (mnx) [CH3:1][C@@H:8]([C:12](=[N:19][C@@H:11]([CH2:3][CH2:4][S:24][CH3:2])[C:14](=[O:22])[OH:23])[OH:20])[N:18]=[C:13]([C@H:10]([CH2:5][C:9]1=[CH:6][N:16]=[CH:7][NH:17]1)[NH2:15])[OH:21]

Parent-child relations graph

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