(2S)-2-amino-5-[[(2R)-2-amino-3-benzylsulfanylpropanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
Basic information
- CAS
6803-17-4- Standard SMILES
N[C@@H](CCC(=O)N(CC(=O)O)C(=O)[C@@H](N)CSCc1ccccc1)C(=O)O- InChIKey
YQCILXFRGOTSAB-STQMWFEESA-N- Molecular formula
- C17H23N3O6S
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.13075664
Names & identifiers
- Preferred name
- (2S)-2-amino-5-[[(2R)-2-amino-3-benzylsulfanylpropanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
- IUPAC
- (2S)-2-amino-5-[[(2R)-2-amino-3-benzylsulfanylpropanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid
- English name
- S-benzylglutathione
- Molecular formula
- C17H23N3O6S
- Molecular weight
- 397.45
Names & synonyms
(2S)-2-amino-5-[[(2R)-2-amino-3-benzylsulfanylpropanoyl]-(carboxymethyl)amino]-5-oxopentanoic acidGlycine, N-(N-L-gamma-glutamyl-S-(phenylmethyl)-L-cysteinyl)-DA-77723S-benzylglutathioneL-γGlu-S-Benzyl-L-Cys-Gly-OHL-gamma-Glutamyl-S-benzyl-L-cysteinylglycineN-(N-L-γ-Glutamyl-S-benzyl-L-cysteinyl)glycineGlycine, L-γ-glutamyl-S-(phenylmethyl)-L-cysteinyl-
Database identifiers
- CAS
6803-17-4- PubChem CID
- 160871
Properties
Computed structural properties
- XLogP
- -5.2
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 539
Physicochemical properties
- Boiling point
- 799.9 · 799.9±60.0 °C(Predicted)
- Density
- 1.368 · 1.368±0.06 g/cm3(Predicted)
- pka
- 2.21 · 2.21±0.10(Predicted)
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
UsesS-Benzylglutathione is a competitive glutathionase inhibitor. S-Benzylglutathione is converted to the corresponding cysteine derivatives by rat kidney microsomes. S-Benzylglutathione can be used for the research of metabolic breakdown of glutathione by the glutathionase system[1].
Related reactions
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Compound notes
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