Basic information
- CAS
28709-70-8- Standard SMILES
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1- InChIKey
XLLUIEKQXIOPDX-KRWDZBQOSA-N- Molecular formula
- C19H21NO4
- Average molar mass
- 327.4 g/mol
- Monoisotopic mass
- 327.14705815
Names & identifiers
- Preferred name
- N-((Phenylmethoxy)carbonyl)-L-phenylalanine ethyl ester
- IUPAC
- ethyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
- English name
- N-CARBOBENZYLOXY-D-PHENYLALANINE, 99+%
- Molecular formula
- C19H21NO4
- Molecular weight
- 327.37
Names & synonyms
28709-70-8RefChem:1090732N-((Phenylmethoxy)carbonyl)-L-phenylalanine ethyl esterN-Carbobenzoxy-L-phenylalanine ethyl esterethyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoateBRN 3004064N-benzyloxycarbonyl-L-phenylalanine ethyl esterL-N-Benzyloxycarbonyl-3-phenylalanine ethyl esterSCHEMBL6440666CHEMBL3275999DTXSID30951354XLLUIEKQXIOPDX-KRWDZBQOSA-N
Show more names
Carbobenzyloxy-D-phenylalanine.N-CARBOBENZYLOXY-D-PHENYLALANINE, 99+%n-carbobenzoxy-l-phenylalanineethylesterl-n-benzyloxycarbonyl-3-phenylalanineethylestern-benzyloxycarbonyl-3-phenyl-,ethylester,l-alaninL-Phenylalanine, N-[(phenylmethoxy)carbonyl]-, ethyl ester(S)-3-Phenyl-2-[[(benzyloxy)carbonyl]amino]propionic acid ethyl ester
ALANINE, N-BENZYLOXYCARBONYL-3-PHENYL-, ETHYL ESTER, L-Ethyl N-[(benzyloxy)(hydroxy)methylidene]phenylalaninateEthyl N-[(benzyloxy)(hydroxy)methylidene]-L-phenylalaninate
Database identifiers
- CAS
28709-70-8- PubChem CID
- 34309
- DTXSID
DTXSID30951354- ChEMBL
CHEMBL3275999- Nikkaji
- J55.157K
Properties
Computed structural properties
- XLogP
- 3.7
- 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
- 387
Physicochemical properties
- Melting point
- 85 · 85-88°C
- Boiling point
- 440.65 °C · 440.65°C (rough estimate)
- Density
- 1.1441 · 1.1441 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- CAS DataBase Reference
- 28709 · 28709-70-8
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
HONEST JOY HOLDINGS LIMITED[email protected]
Great Dragon Biochemicals Co., Ltd.[email protected]
WATERSTONE[email protected]
Service Chemical Inc.[email protected]
Acros Organics[email protected]
Related reactions
1 records
Compound notes
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