S-(4-nitrobenzyl)-glutatione

Chemical Formula:

C₁₇H₂₁N₄O₈S

Molecular Weight:

441.435 Daltons

Monoisotopic Mass:

444.131484458 Daltons

SMILES:

C(SCC(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O)C1(=CC=C([N+]([O-])=O)C=C1)

InChI:

1S/C17H22N4O8S/c18-12(17(26)27)5-6-14(22)20-13(16(25)19-7-15(23)24)9-30-8-10-1-3-11(4-2-10)21(28)29/h1-4,12-13H,5-9,18H2,(H,19,25)(H,20,22)(H,23,24)(H,26,27)/p-1/t12-,13-/m0/s1

InChIKey:

OAWORKDPTSAMBZ-STQMWFEESA-M

Databases

MetaCyc: CPD-21162

PubChem (CID): 134820398