S-(N-Benzylthiocarbamoyl)glutathione

Properties Image MNX_ID MNXM169045 reference sabiorkM:25229 formula C18H24N4O6S2 global charge 0 mol weight 456.546 InChIKey MGUPJNNTVYXHBZ-STQMWFEESA-N InChI InChI=1S/C18H24N4O6S2/c19-12(17(27)28)6-7-14(23)22-13(16(26)20-9-15(24)25)10-30-18(29)21-8-11-4-2-1-3-5-11/h1-5,12-13H,6-10,19H2,(H,20,26)(H,21,29)(H,22,23)(H,24,25)(H,27,28)/t12-,13-/m0/s1 SMILES N[C@@H](CCC(O)=N[C@@H](CSC(S)=NCC1=CC=CC=C1)C(O)=NCC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C18H24N4O6S2/c19-12(17(27)28)6-7-14(23)22-13(16(26)20-9-15(24)25)10-30-18(29)21-8-11-4-2-1-3-5-11/h1-5,12-13H,6-10,19H2,(H,20,26)(H,21,29)(H,22,23)(H,24,25)(H,27,28)/t12-,13-/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:11]([CH2:8][N:21]=[C:18]([SH:29])[S:30][CH2:10][C@@H:13]([C:16](=[N:20][CH2:9][C:15](=[O:24])[OH:25])[OH:26])[N:22]=[C:14]([CH2:7][CH2:6][C@@H:12]([C:17](=[O:27])[OH:28])[NH2:19])[OH:23])[CH:5]=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0