His-Asp-Val

Properties Image MNX_ID MNXM1126930 reference chebi:164347 formula C15H23N5O6 global charge 0 mol weight 369.378 InChIKey JFFAPRNXXLRINI-NHCYSSNCSA-N InChI InChI=1S/C15H23N5O6/c1-7(2)12(15(25)26)20-14(24)10(4-11(21)22)19-13(23)9(16)3-8-5-17-6-18-8/h5-7,9-10,12H,3-4,16H2,1-2H3,(H,17,18)(H,19,23)(H,20,24)(H,21,22)(H,25,26)/t9-,10-,12-/m0/s1 SMILES CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C15H23N5O6/c1-7(2)12(15(25)26)20-14(24)10(4-11(21)22)19-13(23)9(16)3-8-5-17-6-18-8/h5-7,9-10,12H,3-4,16H2,1-2H3,(H,17,18)(H,19,23)(H,20,24)(H,21,22)(H,25,26)/t9-,10-,12-/m0/s1 SMILES (mnx) [CH3:1][CH:7]([CH3:2])[C@@H:12]([C:15](=[O:25])[OH:26])[N:20]=[C:14]([C@H:10]([CH2:4][C:11](=[O:21])[OH:22])[N:19]=[C:13]([C@H:9]([CH2:3][C:8]1=[CH:5][N:17]=[CH:6][NH:18]1)[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