(2,5-dioxopyrrolidin-1-yl) (2R)-3-benzhydrylsulfanyl-2-(phenylmethoxycarbonylamino)propanoate
Completing data — refresh the page later to see the latest
Basic information
- CAS
22423-73-0- Standard SMILES
O=C(N[C@@H](CSC(c1ccccc1)c1ccccc1)C(=O)ON1C(=O)CCC1=O)OCc1ccccc1- InChIKey
HCCDNYJAOZENPS-QHCPKHFHSA-N- Molecular formula
- C28H26N2O6S
- Average molar mass
- 518.6 g/mol
- Monoisotopic mass
- 518.15115773
Names & identifiers
- Preferred name
- (2,5-dioxopyrrolidin-1-yl) (2R)-3-benzhydrylsulfanyl-2-(phenylmethoxycarbonylamino)propanoate
- IUPAC
- (2,5-dioxopyrrolidin-1-yl) (2R)-3-benzhydrylsulfanyl-2-(phenylmethoxycarbonylamino)propanoate
- English name
- [(R)-2-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-2-oxo-1-[(diphenylmethylthio)methyl]ethyl]carbamic acid benzyl ester
- Molecular formula
- C28H26N2O6S
- Molecular weight
- 518.58
Names & synonyms
Succinimide, N-[[N-carboxy-3-[(diphenylmethyl)thio]-L-alanyl]oxy]-, benzyl ester (8CI)[(R)-2-[(2,5-Dioxo-1-pyrrolidinyl)oxy]-2-oxo-1-[(diphenylmethylthio)methyl]ethyl]carbamic acid benzyl ester
Database identifiers
- CAS
22423-73-0- PubChem CID
- 90470387
- Nikkaji
- J83.182D
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 756
Physicochemical properties
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 10.09 · 10.09±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…