Glutathione diethyl ester
Basic information
- CAS
97451-40-6- Standard SMILES
CCOC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)OCC- InChIKey
IYXATRBAHYMOQL-UWVGGRQHSA-N- Molecular formula
- C14H25N3O6S
- Average molar mass
- 363.43 g/mol
- Monoisotopic mass
- 363.1464067
Names & identifiers
- Preferred name
- Glutathione diethyl ester
- IUPAC
- ethyl (2S)-2-amino-5-[[(2R)-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoate
- English name
- Glutathione-diethyl ester (reduced)
- Molecular formula
- C14H25N3O6S
- Molecular weight
- 363.43
Names & synonyms
Glutathione diethyl ester97451-40-6DTXSID80242981RefChem:143717DTXCID10165472Glutathione-diethyl ester (reduced)MFCD00237072ethyl (2S)-2-amino-5-[[(2R)-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoateC14H25N3O6S(S)-Ethyl 2-amino-5-(((R)-1-((2-ethoxy-2-oxoethyl)amino)-3-mercapto-1-oxopropan-2-yl)amino)-5-oxopentanoateGLUTATHIONE-DIETHYL ESTERIYXATRBAHYMOQL-UWVGGRQHSA-N
Show more names
GSH-2OEtGSH diethyl esterGLU(CYS-GLY-OET)-OETH-GLU(CYS-GLY-OET)-OETglutathionediethylester{Ggu(OEt)}-Cys-Gly-{OEt}Glutathione reduced diethylesterGlutathione-diethyl ester hydrochlorideGlycine, L-γ-glutamyl-L-cysteinyl-, 1,3-diethyl ester
Ethyl (2S)-2-amino-5-({(2R)-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxo-3-sulfanylpropan-2-yl}amino)-5-oxopentanoateorb1741279SCHEMBL16501104HY-P5069AKOS027382819CS-0675948G84874T68202
Database identifiers
- CAS
97451-40-6- PubChem CID
- 175702
- DTXSID
DTXSID80242981- Nikkaji
- J652.596B
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- Boiling point
- 593.3 · 593.3±50.0 °C(Predicted)
- Density
- 1.223 · 1.223±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 9.21 · 9.21±0.10(Predicted)
- Sequence
- {Ggu(OEt)}-Cys-Gly-{OEt}
Chemistry & industry
Applications
UsesGlutathione diethyl ester is a delivery agent for glutathione monoester, and thus for glutathione, in human cells and therefore could serve to decrease oxidative stress and toxicity[1].
Related reactions
1 records
Compound notes
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