Pro-Asp-Met

Properties Image MNX_ID MNXM1124757 reference chebi:162162 formula C14H23N3O6S global charge 0 mol weight 361.42 InChIKey QVIZLAUEAMQKGS-GUBZILKMSA-N InChI InChI=1S/C14H23N3O6S/c1-24-6-4-9(14(22)23)16-13(21)10(7-11(18)19)17-12(20)8-3-2-5-15-8/h8-10,15H,2-7H2,1H3,(H,16,21)(H,17,20)(H,18,19)(H,22,23)/t8-,9-,10-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)O MNX internals InChI (mnx) InChI=1/C14H23N3O6S/c1-24-6-4-9(14(22)23)16-13(21)10(7-11(18)19)17-12(20)8-3-2-5-15-8/h8-10,15H,2-7H2,1H3,(H,16,21)(H,17,20)(H,18,19)(H,22,23)/t8-,9-,10-/m0/s1 SMILES (mnx) [CH3:1][S:24][CH2:6][CH2:4][C@@H:9]([C:14](=[O:22])[OH:23])[N:16]=[C:13]([C@H:10]([CH2:7][C:11](=[O:18])[OH:19])[N:17]=[C:12]([C@@H:8]1[CH2:3][CH2:2][CH2:5][NH:15]1)[OH:20])[OH:21]

Parent-child relations graph

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