N-((Phenylmethoxy)carbonyl)-L-phenylalanine ethyl ester

HCID 34309

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

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]
Service Chemical Inc.[email protected]
Acros Organics[email protected]

Related reactions

1 records

Compound notes

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