beta-phenylpropionyl-L-phenylalanine

HCID 47590

Notes Reactions

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Basic information

CAS: 21888-30-2
Standard SMILES: O=C(CCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O
InChIKey: PKOVGZQJPDDEJO-INIZCTEOSA-N
Molecular formula: C18H19NO3
Average molar mass: 297.3 g/mol
Monoisotopic mass: 297.13649347

Names & identifiers

Preferred name: beta-phenylpropionyl-L-phenylalanine
IUPAC: (2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoic acid
English name: beta-phenylpropionyl-L-phenylalanine
Molecular weight: 0

Names & synonyms

beta-Phenylpropionyl-L-phenylalanine21888-30-2DTXSID30176287RefChem:119488DTXCID4098778N-(3-Phenylpropanoyl)-L-phenylalanineCHEMBL288201SCHEMBL41531013-phenyl-propionyl-phenylalaninePKOVGZQJPDDEJO-INIZCTEOSA-NL-Phenylalanine, N-(1-oxo-3-phenylpropyl)-3-phenyl-(2S)-(3-phenylpropanoylamino)propanoic acid

Database identifiers

CAS: 21888-30-2
PubChem CID: 47590
DTXSID: DTXSID30176287
ChEMBL: CHEMBL288201
Nikkaji: J1.120.683B

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 66.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 357

Chemistry & industry

Upstream & downstream products

Downstream products

N-Ethoxycarbonyl-L-phenylalanine

Related reactions

2 records

New reaction record

HRID 1368887As productuspto-grants-2003_06

HRID 1582604As productuspto-grants-2004_05

Compound notes

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