Ala-His-His

Properties Image MNX_ID MNXM1120833 reference chebi:158218 formula C15H21N7O4 global charge 0 mol weight 363.378 InChIKey ATAKEVCGTRZKLI-UWJYBYFXSA-N InChI InChI=1S/C15H21N7O4/c1-8(16)13(23)21-11(2-9-4-17-6-19-9)14(24)22-12(15(25)26)3-10-5-18-7-20-10/h4-8,11-12H,2-3,16H2,1H3,(H,17,19)(H,18,20)(H,21,23)(H,22,24)(H,25,26)/t8-,11-,12-/m0/s1 SMILES C[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C15H21N7O4/c1-8(16)13(23)21-11(2-9-4-17-6-19-9)14(24)22-12(15(25)26)3-10-5-18-7-20-10/h4-8,11-12H,2-3,16H2,1H3,(H,17,19)(H,18,20)(H,21,23)(H,22,24)(H,25,26)/t8-,11-,12-/m0/s1 SMILES (mnx) [CH3:1][C@@H:8]([C:13](=[N:21][C@@H:11]([CH2:2][C:9]1=[CH:4][N:17]=[CH:6][NH:19]1)[C:14](=[N:22][C@@H:12]([CH2:3][C:10]1=[CH:5][N:18]=[CH:7][NH:20]1)[C:15](=[O:25])[OH:26])[OH:24])[OH:23])[NH2:16]

Parent-child relations graph

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