Basic information
- CAS
105449-15-8- Standard SMILES
NC(CCC(=O)NC(CSC(c1ccccc1)C(O)c1ccccc1)C(=O)NCC(=O)O)C(=O)O- InChIKey
QXNTVHQBETYVHO-UHFFFAOYSA-N- Molecular formula
- C24H29N3O7S
- Average molar mass
- 503.6 g/mol
- Monoisotopic mass
- 503.17262145
Overview
RN given refers to (S-(R*,R*))-isomer; RN for compound without isomeric designation not available 1/89
Names & identifiers
- Preferred name
- 1,2-diphenyl-1-(S-glutathionyl)-2-hydroxyethane
- IUPAC
- 2-amino-5-[[1-(carboxymethylamino)-3-(2-hydroxy-1,2-diphenylethyl)sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- English name
- 1,2-diphenyl-1-(S-glutathionyl)-2-hydroxyethane
- Molecular formula
- C24H29N3O7S
- Molecular weight
- 503.57
Names & synonyms
DPGHE105449-15-81,2-Diphenyl-1-(S-glutathionyl)-2-hydroxyethaneRefChem:72021DTXSID809095425-({1-[(Carboxymethyl)imino]-1-hydroxy-3-[(2-hydroxy-1,2-diphenylethyl)sulfanyl]propan-2-yl}imino)-5-hydroxynorvalineGlycine, N-[N-L-γ-glutamyl-S-(2-hydroxy-1,2-diphenylethyl)-L-cysteinyl]-, [S-(R*,R*)]- (9CI)
Database identifiers
- CAS
105449-15-8- PubChem CID
- 196399
- DTXSID
DTXSID80909542
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 711
Physicochemical properties
- Boiling point
- 878.824 · 878.824±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.374 · 1.374±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.214 · 2.214±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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