Cys-His-Asn

Properties Image MNX_ID MNXM1123983 reference chebi:161385 formula C13H20N6O5S global charge 0 mol weight 372.407 InChIKey VNXXMHTZQGGDSG-CIUDSAMLSA-N InChI InChI=1S/C13H20N6O5S/c14-7(4-25)11(21)18-8(1-6-3-16-5-17-6)12(22)19-9(13(23)24)2-10(15)20/h3,5,7-9,25H,1-2,4,14H2,(H2,15,20)(H,16,17)(H,18,21)(H,19,22)(H,23,24)/t7-,8-,9-/m0/s1 SMILES NC(=O)C[C@H](NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](N)CS)C(=O)O MNX internals InChI (mnx) InChI=1/C13H20N6O5S/c14-7(4-25)11(21)18-8(1-6-3-16-5-17-6)12(22)19-9(13(23)24)2-10(15)20/h3,5,7-9,25H,1-2,4,14H2,(H2,15,20)(H,16,17)(H,18,21)(H,19,22)(H,23,24)/t7-,8-,9-/m0/s1 SMILES (mnx) [CH2:1]([C:6]1=[CH:3][N:16]=[CH:5][NH:17]1)[C@@H:8]([C:12](=[N:19][C@@H:9]([CH2:2][C:10](=[NH:15])[OH:20])[C:13](=[O:23])[OH:24])[OH:22])[N:18]=[C:11]([C@H:7]([CH2:4][SH:25])[NH2:14])[OH:21]

Parent-child relations graph

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