Val-His-Val

Properties Image MNX_ID MNXM1128193 reference chebi:166232 formula C16H27N5O4 global charge 0 mol weight 353.423 InChIKey XBRMBDFYOFARST-AVGNSLFASA-N InChI InChI=1S/C16H27N5O4/c1-8(2)12(17)15(23)20-11(5-10-6-18-7-19-10)14(22)21-13(9(3)4)16(24)25/h6-9,11-13H,5,17H2,1-4H3,(H,18,19)(H,20,23)(H,21,22)(H,24,25)/t11-,12-,13-/m0/s1 SMILES CC(C)[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](C(=O)O)C(C)C MNX internals InChI (mnx) InChI=1/C16H27N5O4/c1-8(2)12(17)15(23)20-11(5-10-6-18-7-19-10)14(22)21-13(9(3)4)16(24)25/h6-9,11-13H,5,17H2,1-4H3,(H,18,19)(H,20,23)(H,21,22)(H,24,25)/t11-,12-,13-/m0/s1 SMILES (mnx) [CH3:1][CH:8]([CH3:2])[C@@H:12]([C:15](=[N:20][C@@H:11]([CH2:5][C:10]1=[CH:6][N:18]=[CH:7][NH:19]1)[C:14](=[N:21][C@@H:13]([CH:9]([CH3:3])[CH3:4])[C:16](=[O:24])[OH:25])[OH:22])[OH:23])[NH2:17]

Parent-child relations graph

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