Cys-Val-Gln

Properties Image MNX_ID MNXM1124426 reference chebi:161830 formula C13H24N4O5S global charge 0 mol weight 348.425 InChIKey IOLWXFWVYYCVTJ-NRPADANISA-N InChI InChI=1S/C13H24N4O5S/c1-6(2)10(17-11(19)7(14)5-23)12(20)16-8(13(21)22)3-4-9(15)18/h6-8,10,23H,3-5,14H2,1-2H3,(H2,15,18)(H,16,20)(H,17,19)(H,21,22)/t7-,8-,10-/m0/s1 SMILES CC(C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCC(N)=O)C(=O)O MNX internals InChI (mnx) InChI=1/C13H24N4O5S/c1-6(2)10(17-11(19)7(14)5-23)12(20)16-8(13(21)22)3-4-9(15)18/h6-8,10,23H,3-5,14H2,1-2H3,(H2,15,18)(H,16,20)(H,17,19)(H,21,22)/t7-,8-,10-/m0/s1 SMILES (mnx) [CH3:1][CH:6]([CH3:2])[C@@H:10]([C:12](=[N:16][C@@H:8]([CH2:3][CH2:4][C:9](=[NH:15])[OH:18])[C:13](=[O:21])[OH:22])[OH:20])[N:17]=[C:11]([C@H:7]([CH2:5][SH:23])[NH2:14])[OH:19]

Parent-child relations graph

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