Ala-Gln-Asp

Properties Image MNX_ID MNXM1120717 reference chebi:158098 formula C12H20N4O7 global charge 0 mol weight 332.313 InChIKey NKJBKNVQHBZUIX-ACZMJKKPSA-N InChI InChI=1S/C12H20N4O7/c1-5(13)10(20)15-6(2-3-8(14)17)11(21)16-7(12(22)23)4-9(18)19/h5-7H,2-4,13H2,1H3,(H2,14,17)(H,15,20)(H,16,21)(H,18,19)(H,22,23)/t5-,6-,7-/m0/s1 SMILES C[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C12H20N4O7/c1-5(13)10(20)15-6(2-3-8(14)17)11(21)16-7(12(22)23)4-9(18)19/h5-7H,2-4,13H2,1H3,(H2,14,17)(H,15,20)(H,16,21)(H,18,19)(H,22,23)/t5-,6-,7-/m0/s1 SMILES (mnx) [CH3:1][C@@H:5]([C:10](=[N:15][C@@H:6]([CH2:2][CH2:3][C:8](=[NH:14])[OH:17])[C:11](=[N:16][C@@H:7]([CH2:4][C:9](=[O:18])[OH:19])[C:12](=[O:22])[OH:23])[OH:21])[OH:20])[NH2:13]

Parent-child relations graph

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