Basic information
- CAS
6803-17-4- Standard SMILES
N[C@@H](CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)NCC(=O)O)C(=O)O- InChIKey
XYJWEQWNNKNSFU-STQMWFEESA-N- Molecular formula
- C17H23N3O6S
- Average molar mass
- 397.4 g/mol
- Monoisotopic mass
- 397.13075664
Overview
RN given refers to (all L)-isomer
Names & identifiers
- Preferred name
- S-Benzylglutathione
- IUPAC
- (2S)-2-amino-5-[[(2R)-3-benzylsulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- English name
- S-benzylglutathione
- Molecular formula
- C17H23N3O6S
- Molecular weight
- 397.45
Names & synonyms
S-Benzylglutathiones-benzyl-glutathioneDTXSID40987462RefChem:180641DTXCID901510136(2S)-2-amino-4-(((1R)-2-(benzylsulfanyl)-1-((carboxymethyl)carbamoyl)ethyl)carbamoyl)butanoic acid6803-17-4L-gamma-glutamyl-S-benzyl-L-cysteinylglycineGSBorb1943564SCHEMBL11874436DB03602
Show more names
L-γGlu-S-Benzyl-L-Cys-Gly-OHN-(N-L-γ-Glutamyl-S-benzyl-L-cysteinyl)glycineGlycine, L-γ-glutamyl-S-(phenylmethyl)-L-cysteinyl-
HY-148207CS-0616361NS00069539T81200
Database identifiers
- CAS
6803-17-4- PubChem CID
- 445707
- DTXSID
DTXSID40987462- Nikkaji
- J376.684E
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 525
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
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].
Suppliers5 total
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
杭州肽佳生物科技有限公司0571-87213919 15967184799 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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