Basic information
- CAS
64187-45-7- Standard SMILES
N#CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1- InChIKey
JIQFQYPZHNSZDA-INIZCTEOSA-N- Molecular formula
- C18H16N2O3
- Average molar mass
- 308.3 g/mol
- Monoisotopic mass
- 308.11609237
Names & identifiers
- Preferred name
- Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L-
- IUPAC
- cyanomethyl (2S)-2-benzamido-3-phenylpropanoate
- English name
- N-Benzoyl-L-phenylalanine cyanomethyl ester
- Molecular formula
- C18H16N2O3
- Molecular weight
- 308.33
Names & synonyms
64187-45-7BRN 2764306L-N-Benzoyl-3-phenylalanine cyanomethyl esterALANINE, N-BENZOYL-3-PHENYL-, CYANOMETHYL ESTER, L-DTXSID20214389RefChem:318012DTXCID70136880N-Benzoyl-L-phenylalanine cyanomethyl esterCHEMBL3247321Cyanomethyl N-benzoyl-L-phenylalaninateDB-320913L-Phenylalanine, N-benzoyl-, cyanomethyl ester
Database identifiers
- CAS
64187-45-7- PubChem CID
- 47313
- DTXSID
DTXSID20214389- ChEMBL
CHEMBL3247321- Nikkaji
- J74.944C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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