N-[(2-chloro-6-methylphenyl)carbonyl]-4-[1,6-dimethyl-4-(trifluoromethyl)-2-oxo-3-pyridinyl]-L-phenylalanine

HCID 69714767
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Basic information

Standard SMILES
Cc1cccc(Cl)c1C(=O)N[C@@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)cc1)C(=O)O
InChIKey
APVDSPBBKYMHQH-IBGZPJMESA-N
Molecular formula
C25H22ClF3N2O4
Average molar mass
506.9 g/mol
Monoisotopic mass
506.1220194

Names & identifiers

Preferred name
N-[(2-chloro-6-methylphenyl)carbonyl]-4-[1,6-dimethyl-4-(trifluoromethyl)-2-oxo-3-pyridinyl]-L-phenylalanine
IUPAC
(2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]phenyl]propanoic acid

Names & synonyms

CHEMBL2332741N-[(2-chloro-6-methylphenyl)carbonyl]-4-[1,6-dimethyl-4-(trifluoromethyl)-2-oxo-3-pyridinyl]-L-phenylalanineSCHEMBL6234797BDBM50428927

Database identifiers

PubChem CID
69714767
ChEMBL
CHEMBL2332741

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
86.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
35

Related reactions

2 records
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Compound notes

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