Basic information
- CAS
7663-85-6- Standard SMILES
N#CCOC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1- InChIKey
QDAFQGLLNQPQAT-KRWDZBQOSA-N- Molecular formula
- C19H18N2O4
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.12665706
Names & identifiers
- Preferred name
- Alanine, N-benzyloxycarbonyl-3-phenyl-, cyanomethyl ester, L-
- IUPAC
- cyanomethyl (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
- English name
- N-[(Phenylmethoxy)carbonyl]-L-phenylalanine cyanomethyl ester
- Molecular formula
- C19H18N2O4
- Molecular weight
- 338.36
Names & synonyms
BRN 4331278ALANINE, N-BENZYLOXYCARBONYL-3-PHENYL-, CYANOMETHYL ESTER, L-L-N-Benzyloxycarbonyl-3-phenylalanine cyanomethyl ester7663-85-6DTXSID40227456RefChem:318019DTXCID40149947Z-L-Phe-OCH2CNCHEMBL3247276QDAFQGLLNQPQAT-KRWDZBQOSA-NCyanomethyl N-[(benzyloxy)carbonyl]-L-phenylalaninateN-[(Phenylmethoxy)carbonyl]-L-phenylalanine cyanomethyl ester
Show more names
L-Phenylalanine, N-[(phenylmethoxy)carbonyl]-, cyanomethyl ester
Database identifiers
- CAS
7663-85-6- PubChem CID
- 24313
- DTXSID
DTXSID40227456- ChEMBL
CHEMBL3247276- Nikkaji
- J55.156B
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 473
Related reactions
1 records
Compound notes
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