Molecule ID: 5460887

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

Description: The molecule is a Glu-Cys-Gly tripeptide derivative of glutathione containing a 2-hydroxyethyl substituent on the S of the Cys residue. It derives from a glutathione.

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

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

InChI: InChI=1S/C12H21N3O7S/c13-7(12(21)22)1-2-9(17)15-8(6-23-4-3-16)11(20)14-5-10(18)19/h7-8,16H,1-6,13H2,(H,14,20)(H,15,17)(H,18,19)(H,21,22)/t7-,8-/m0/s1

Molecular Properties:
- Polar Surface Area: 204.0 Ų
- LogP: -4.8