Basic information
- Standard SMILES
CCc1cccc(C)c1C(=O)N[C@@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)cc1)C(=O)OC- InChIKey
PTSYOIBLVIWKGC-QFIPXVFZSA-N- Molecular formula
- C28H29F3N2O4
- Average molar mass
- 514.5 g/mol
Names & identifiers
- Preferred name
- N-[(2-ethyl-6-methylphenyl)carbonyl]-4-[1,6-dimethyl-4-(trifluoromethyl)-2-oxo-3-pyridinyl]-L-phenylalanine methyl ester
- IUPAC
- methyl (2S)-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]phenyl]-2-[(2-ethyl-6-methylbenzoyl)amino]propanoate
Names & synonyms
N-[(2-ethyl-6-methylphenyl)carbonyl]-4-[1,6-dimethyl-4-(trifluoromethyl)-2-oxo-3-pyridinyl]-L-phenylalanine methyl esterSCHEMBL6237501
Database identifiers
- PubChem CID
- 69715914
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 934
Related reactions
4 records
Compound notes
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