Molecule ID: 91819876

IUPAC Name: (2S)-2-azaniumyl-5-[[(2R)-1-(carboxylatomethylamino)-1-oxo-3-sulfinatosulfanylpropan-2-yl]amino]-5-oxopentanoate

Description: The molecule is a peptide anion obtained by deprotonation of the carboxy and sulfinate groups and protonation of the amino group of glutathione S-sulfinate; major species at pH 7.3. It derives from a glutathionate(1-). It is a conjugate base of a glutathione S-sulfinate.

SMILES: N[C@@H](CCC([O-])=N[C@@H](CSS(=O)O)C(O)=NCC(=O)[O-])C(=O)O

SELFIES: [N][C@@H1][Branch2][Ring1][=N][C][C][C][Branch1][C][O-1][=N][C@@H1][Branch1][Branch2][C][S][S][=Branch1][C][=O][O][C][Branch1][C][O][=N][C][C][=Branch1][C][=O][O-1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C10H17N3O8S2/c11-5(10(18)19)1-2-7(14)13-6(4-22-23(20)21)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21)/p-2/t5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 251.0 Ų
- LogP: -4.3