N-((Phenylmethoxy)carbonyl)-D-phenylalanine ethenyl ester
Basic information
- CAS
64286-80-2- Standard SMILES
C=COC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1- InChIKey
XCGDYLANQZQVNE-QGZVFWFLSA-N- Molecular formula
- C19H19NO4
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.13140809
Names & identifiers
- Preferred name
- N-((Phenylmethoxy)carbonyl)-D-phenylalanine ethenyl ester
- IUPAC
- ethenyl (2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
- English name
- N-(Benzyloxycarbonyl)-D-phenylalanine vinyl ester
- Molecular formula
- C19H19NO4
- Molecular weight
- 325.36
Names & synonyms
64286-80-2DTD3X38824N-Benzyloxycarbonyl-D-phenylalanine vinyl esterN-((Phenylmethoxy)carbonyl)-D-phenylalanine ethenyl esterN-[(Phenylmethoxy)carbonyl]-D-phenylalanine ethenyl esterRefChem:1090728D-N-Benzyloxycarbonyl-3-phenylalanine vinyl esterALANINE, N-BENZYLOXYCARBONYL-3-PHENYL-, VINYL ESTER, D-N-(Benzyloxycarbonyl)-D-phenylalanine vinyl esterCHEMBL3275998DTXSID00982837D-Phenylalanine, N-[(phenylmethoxy)carbonyl]-, ethenyl ester
Show more names
ETHENYL (2R)-2-{[(BENZYLOXY)CARBONYL]AMINO}-3-PHENYLPROPANOATEDB-320514Ethenyl N-[(benzyloxy)(hydroxy)methylidene]phenylalaninateEthenyl N-[(benzyloxy)(hydroxy)methylidene]-D-phenylalaninate
Database identifiers
- CAS
64286-80-2- PubChem CID
- 47328
- DTXSID
DTXSID00982837- ChEMBL
CHEMBL3275998- UNII
- DTD3X38824
- Nikkaji
- J74.950H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 412
Physicochemical properties
- Boiling point
- 494.4 · 494.4±45.0 °C(Predicted)
- Density
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- pka
- 10.79 · 10.79±0.46(Predicted)
- FDA UNII
- 3 X38824 · DTD3X38824
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Compound notes
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