Met-His-Asp

Properties Image MNX_ID MNXM1123371 reference chebi:160772 formula C15H23N5O6S global charge 0 mol weight 401.445 InChIKey OBCRZLRPJFNLAN-DCAQKATOSA-N InChI InChI=1S/C15H23N5O6S/c1-27-3-2-9(16)13(23)19-10(4-8-6-17-7-18-8)14(24)20-11(15(25)26)5-12(21)22/h6-7,9-11H,2-5,16H2,1H3,(H,17,18)(H,19,23)(H,20,24)(H,21,22)(H,25,26)/t9-,10-,11-/m0/s1 SMILES CSCC[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C15H23N5O6S/c1-27-3-2-9(16)13(23)19-10(4-8-6-17-7-18-8)14(24)20-11(15(25)26)5-12(21)22/h6-7,9-11H,2-5,16H2,1H3,(H,17,18)(H,19,23)(H,20,24)(H,21,22)(H,25,26)/t9-,10-,11-/m0/s1 SMILES (mnx) [CH3:1][S:27][CH2:3][CH2:2][C@@H:9]([C:13](=[N:19][C@@H:10]([CH2:4][C:8]1=[CH:6][N:17]=[CH:7][NH:18]1)[C:14](=[N:20][C@@H:11]([CH2:5][C:12](=[O:21])[OH:22])[C:15](=[O:25])[OH:26])[OH:24])[OH:23])[NH2:16]

Parent-child relations graph

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