Ala-Pro-Glu

Properties Image MNX_ID MNXM1121068 reference chebi:158455 formula C13H21N3O6 global charge 0 mol weight 315.326 InChIKey IORKCNUBHNIMKY-CIUDSAMLSA-N InChI InChI=1S/C13H21N3O6/c1-7(14)12(20)16-6-2-3-9(16)11(19)15-8(13(21)22)4-5-10(17)18/h7-9H,2-6,14H2,1H3,(H,15,19)(H,17,18)(H,21,22)/t7-,8-,9-/m0/s1 SMILES C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C13H21N3O6/c1-7(14)12(20)16-6-2-3-9(16)11(19)15-8(13(21)22)4-5-10(17)18/h7-9H,2-6,14H2,1H3,(H,15,19)(H,17,18)(H,21,22)/t7-,8-,9-/m0/s1 SMILES (mnx) [CH3:1][C@@H:7]([C:12]([N:16]1[CH2:6][CH2:2][CH2:3][C@H:9]1[C:11](=[N:15][C@@H:8]([CH2:4][CH2:5][C:10](=[O:17])[OH:18])[C:13](=[O:21])[OH:22])[OH:19])=[O:20])[NH2:14]

Parent-child relations graph

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