Asp-Val-Ala

Properties Image MNX_ID MNXM1123625 reference chebi:161027 formula C12H21N3O6 global charge 0 mol weight 303.315 InChIKey XWKBWZXGNXTDKY-ZKWXMUAHSA-N InChI InChI=1S/C12H21N3O6/c1-5(2)9(11(19)14-6(3)12(20)21)15-10(18)7(13)4-8(16)17/h5-7,9H,4,13H2,1-3H3,(H,14,19)(H,15,18)(H,16,17)(H,20,21)/t6-,7-,9-/m0/s1 SMILES CC(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](C)C(=O)O MNX internals InChI (mnx) InChI=1/C12H21N3O6/c1-5(2)9(11(19)14-6(3)12(20)21)15-10(18)7(13)4-8(16)17/h5-7,9H,4,13H2,1-3H3,(H,14,19)(H,15,18)(H,16,17)(H,20,21)/t6-,7-,9-/m0/s1 SMILES (mnx) [CH3:1][CH:5]([CH3:2])[C@@H:9]([C:11](=[N:14][C@@H:6]([CH3:3])[C:12](=[O:20])[OH:21])[OH:19])[N:15]=[C:10]([C@H:7]([CH2:4][C:8](=[O:16])[OH:17])[NH2:13])[OH:18]

Parent-child relations graph

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