Asp-His-Met

Properties Image MNX_ID MNXM1123213 reference chebi:160613 formula C15H23N5O6S global charge 0 mol weight 401.445 InChIKey LNENWJXDHCFVOF-DCAQKATOSA-N InChI InChI=1S/C15H23N5O6S/c1-27-3-2-10(15(25)26)19-14(24)11(4-8-6-17-7-18-8)20-13(23)9(16)5-12(21)22/h6-7,9-11H,2-5,16H2,1H3,(H,17,18)(H,19,24)(H,20,23)(H,21,22)(H,25,26)/t9-,10-,11-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C15H23N5O6S/c1-27-3-2-10(15(25)26)19-14(24)11(4-8-6-17-7-18-8)20-13(23)9(16)5-12(21)22/h6-7,9-11H,2-5,16H2,1H3,(H,17,18)(H,19,24)(H,20,23)(H,21,22)(H,25,26)/t9-,10-,11-/m0/s1 SMILES (mnx) [CH3:1][S:27][CH2:3][CH2:2][C@@H:10]([C:15](=[O:25])[OH:26])[N:19]=[C:14]([C@H:11]([CH2:4][C:8]1=[CH:6][N:17]=[CH:7][NH:18]1)[N:20]=[C:13]([C@H:9]([CH2:5][C:12](=[O:21])[OH:22])[NH2:16])[OH:23])[OH:24]

Parent-child relations graph

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