Asn-His-Asp

Properties Image MNX_ID MNXM1122408 reference chebi:159801 formula C14H20N6O7 global charge 0 mol weight 384.349 InChIKey XLHLPYFMXGOASD-CIUDSAMLSA-N InChI InChI=1S/C14H20N6O7/c15-7(2-10(16)21)12(24)19-8(1-6-4-17-5-18-6)13(25)20-9(14(26)27)3-11(22)23/h4-5,7-9H,1-3,15H2,(H2,16,21)(H,17,18)(H,19,24)(H,20,25)(H,22,23)(H,26,27)/t7-,8-,9-/m0/s1 SMILES NC(=O)C[C@H](N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C14H20N6O7/c15-7(2-10(16)21)12(24)19-8(1-6-4-17-5-18-6)13(25)20-9(14(26)27)3-11(22)23/h4-5,7-9H,1-3,15H2,(H2,16,21)(H,17,18)(H,19,24)(H,20,25)(H,22,23)(H,26,27)/t7-,8-,9-/m0/s1 SMILES (mnx) [CH2:1]([C:6]1=[CH:4][N:17]=[CH:5][NH:18]1)[C@@H:8]([C:13](=[N:20][C@@H:9]([CH2:3][C:11](=[O:22])[OH:23])[C:14](=[O:26])[OH:27])[OH:25])[N:19]=[C:12]([C@H:7]([CH2:2][C:10](=[NH:16])[OH:21])[NH2:15])[OH:24]

Parent-child relations graph

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