Asp-Phe-Ala

Properties Image MNX_ID MNXM1123387 reference chebi:160788 formula C16H21N3O6 global charge 0 mol weight 351.359 InChIKey GYWQGGUCMDCUJE-DLOVCJGASA-N InChI InChI=1S/C16H21N3O6/c1-9(16(24)25)18-15(23)12(7-10-5-3-2-4-6-10)19-14(22)11(17)8-13(20)21/h2-6,9,11-12H,7-8,17H2,1H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t9-,11-,12-/m0/s1 SMILES C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C16H21N3O6/c1-9(16(24)25)18-15(23)12(7-10-5-3-2-4-6-10)19-14(22)11(17)8-13(20)21/h2-6,9,11-12H,7-8,17H2,1H3,(H,18,23)(H,19,22)(H,20,21)(H,24,25)/t9-,11-,12-/m0/s1 SMILES (mnx) [CH3:1][C@@H:9]([C:16](=[O:24])[OH:25])[N:18]=[C:15]([C@H:12]([CH2:7][C:10]1=[CH:5][CH:3]=[CH:2][CH:4]=[CH:6]1)[N:19]=[C:14]([C@H:11]([CH2:8][C:13](=[O:20])[OH:21])[NH2:17])[OH:22])[OH:23]

Parent-child relations graph

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