2-(glutathion-S-yl)-3-(4-nitrophenyl)propanoate

Chemical Formula:

C₁₉H₂₂N₄O₁₀S

Molecular Weight:

498.464 Daltons

Monoisotopic Mass:

502.1369637664001 Daltons

SMILES:

C(SC(C([O-])=O)CC1(=CC=C([N+]([O-])=O)C=C1))C(C(NCC([O-])=O)=O)NC(=O)CCC([N+])C([O-])=O

InChI:

1S/C19H24N4O10S/c20-12(18(28)29)5-6-15(24)22-13(17(27)21-8-16(25)26)9-34-14(19(30)31)7-10-1-3-11(4-2-10)23(32)33/h1-4,12-14H,5-9,20H2,(H,21,27)(H,22,24)(H,25,26)(H,28,29)(H,30,31)/p-2/t12-,13-,14?/m0/s1

InChIKey:

TUKINTUYICBBAJ-RFHHWMCGSA-L

Databases

MetaCyc: CPD-21210

PubChem (CID): 134820219