Ala-His-Ala

Properties Image MNX_ID MNXM744602 reference chebi:158202 formula C12H19N5O4 global charge 0 mol weight 297.315 InChIKey JDIQCVUDDFENPU-ZKWXMUAHSA-N InChI InChI=1S/C12H19N5O4/c1-6(13)10(18)17-9(3-8-4-14-5-15-8)11(19)16-7(2)12(20)21/h4-7,9H,3,13H2,1-2H3,(H,14,15)(H,16,19)(H,17,18)(H,20,21)/t6-,7-,9-/m0/s1 SMILES C[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](C)C(=O)O MNX internals InChI (mnx) InChI=1/C12H19N5O4/c1-6(13)10(18)17-9(3-8-4-14-5-15-8)11(19)16-7(2)12(20)21/h4-7,9H,3,13H2,1-2H3,(H,14,15)(H,16,19)(H,17,18)(H,20,21)/t6-,7-,9-/m0/s1 SMILES (mnx) [CH3:1][C@@H:6]([C:10](=[N:17][C@@H:9]([CH2:3][C:8]1=[CH:4][N:14]=[CH:5][NH:15]1)[C:11](=[N:16][C@@H:7]([CH3:2])[C:12](=[O:20])[OH:21])[OH:19])[OH:18])[NH2:13]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 3