2,6-dichloro-3-(glutathion-S-yl)-hydroquinone

Chemical Formula:

C₁₆H₁₈N₃O₈SCL₂

Molecular Weight:

483.299 Daltons

Monoisotopic Mass:

484.03481574439996 Daltons

SMILES:

C(SC1(C(O)=CC(Cl)=C(O)C(Cl)=1))C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O

InChI:

1S/C16H19Cl2N3O8S/c17-6-3-9(22)14(12(18)13(6)26)30-5-8(15(27)20-4-11(24)25)21-10(23)2-1-7(19)16(28)29/h3,7-8,22,26H,1-2,4-5,19H2,(H,20,27)(H,21,23)(H,24,25)(H,28,29)/p-1/t7-,8-/m0/s1

InChIKey:

MGSQNPUEAQIQMC-YUMQZZPRSA-M

Databases

MetaCyc: CPD-19761

PubChem (CID): 126961172