Ala-Asn-His

Properties Image MNX_ID MNXM1120615 reference chebi:157996 formula C13H20N6O5 global charge 0 mol weight 340.34 InChIKey HGRBNYQIMKTUNT-XVYDVKMFSA-N InChI InChI=1S/C13H20N6O5/c1-6(14)11(21)18-8(3-10(15)20)12(22)19-9(13(23)24)2-7-4-16-5-17-7/h4-6,8-9H,2-3,14H2,1H3,(H2,15,20)(H,16,17)(H,18,21)(H,19,22)(H,23,24)/t6-,8-,9-/m0/s1 SMILES C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O MNX internals InChI (mnx) InChI=1/C13H20N6O5/c1-6(14)11(21)18-8(3-10(15)20)12(22)19-9(13(23)24)2-7-4-16-5-17-7/h4-6,8-9H,2-3,14H2,1H3,(H2,15,20)(H,16,17)(H,18,21)(H,19,22)(H,23,24)/t6-,8-,9-/m0/s1 SMILES (mnx) [CH3:1][C@@H:6]([C:11](=[N:18][C@@H:8]([CH2:3][C:10](=[NH:15])[OH:20])[C:12](=[N:19][C@@H:9]([CH2:2][C:7]1=[CH:4][N:16]=[CH:5][NH:17]1)[C:13](=[O:23])[OH:24])[OH:22])[OH:21])[NH2:14]

Parent-child relations graph

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