Molecule ID: 44176418

IUPAC Name: (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(disulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Description: The molecule is a Glu-Cys-Gly tripeptide derivative of glutathione distinguished by an additional sulfhydryl substituent on the S of Cys. It is a tripeptide, a L-cysteine derivative and a S-substituted glutathione. It derives from a glutathione. It is a conjugate acid of a S-sulfanylglutathionate(1-).

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

SELFIES: [N][C@@H1][Branch2][Ring1][=Branch2][C][C][C][Branch1][C][O][=N][C@@H1][Branch1][Ring2][C][S][S][C][Branch1][C][O][=N][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C10H17N3O6S2/c11-5(10(18)19)1-2-7(14)13-6(4-21-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1

Molecular Properties:
- Polar Surface Area: 185.0 Ų
- LogP: -4.1