Basic information
- CAS
54582-05-7- Standard SMILES
O=C(Cc1ccccc1)NC(Cc1ccccc1)C(=O)O- InChIKey
LIIPHJDKZNTNII-UHFFFAOYSA-N- Molecular formula
- C17H17NO3
- Average molar mass
- 283.32 g/mol
- Monoisotopic mass
- 283.1208434
Names & identifiers
- Preferred name
- N-(Phenylacetyl)-L-phenylalanine
- IUPAC
- 3-phenyl-2-[(2-phenylacetyl)amino]propanoic acid
Names & synonyms
54582-05-7DTXSID80275517RefChem:362830DTXCID90226954N-(Phenylacetyl)-L-phenylalanine3-PHENYL-2-(2-PHENYLACETAMIDO)PROPANOIC ACID3-phenyl-2-[(2-phenylacetyl)amino]propanoic acidN-(Phenylacetyl)phenylalanineOprea1_426739CHEMBL337514SCHEMBL4144665N-(Phenylacetyl)phenylalanine #
Show more names
LIIPHJDKZNTNII-UHFFFAOYSA-NHMS3334G10AKOS000159386AKOS017271486ST510150993-Phenyl-2-(2-phenylacetamido)propionic acid3-phenyl-2-(2-phenylacetylamino)propanoic acid
Database identifiers
- CAS
54582-05-7- PubChem CID
- 47583
- DTXSID
DTXSID80275517- ChEMBL
CHEMBL337514- Nikkaji
- J2.610.353C
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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