Alanine, N-(p-chlorobenzoyl)-3-phenyl-, ethyl ester

HCID 208993

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Basic information

CAS: 19064-51-8
Standard SMILES: CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1
InChIKey: PAUVWPUAHFECOS-INIZCTEOSA-N
Molecular formula: C18H18ClNO3
Average molar mass: 331.8 g/mol
Monoisotopic mass: 331.0975211

Names & identifiers

Preferred name: Alanine, N-(p-chlorobenzoyl)-3-phenyl-, ethyl ester
IUPAC: ethyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoate

Names & synonyms

19064-51-8Alanine, N-(p-chlorobenzoyl)-3-phenyl-, ethyl esterRefChem:1076301BRN 3987057N-(p-Chlorobenzoyl)-3-phenylalanine ethyl esterethyl n-(4-chlorobenzoyl)-l-phenylalaninateethyl (2S)-2-[(4-chlorobenzoyl)amino]-3-phenylpropanoateDTXSID90940628ETHYL (2S)-2-[(4-CHLOROBENZOYL)AMINO]-3-PHENYL-PROPANOATEEthyl N-(4-chlorobenzoyl)phenylalaninate

Database identifiers

CAS: 19064-51-8
PubChem CID: 208993
DTXSID: DTXSID90940628

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 55.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 23
Formal charge: 0
Complexity: 388

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