Basic information
- Standard SMILES
COC(=O)[C@H](Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)cc1)NC(=O)OC(C)(C)C- InChIKey
VALSIEKOJQJUCH-KRWDZBQOSA-N- Molecular formula
- C23H27F3N2O5
- Average molar mass
- 468.5 g/mol
Names & identifiers
- Preferred name
- N-[(1,1-dimethylethoxyl)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-methylpropan-2-yl)oxycarbonylamino]propanoate
Names & synonyms
N-[(1,1-dimethylethoxyl)carbonyl]-4-[1,6-dimethyl-4-(trifluoromethyl)-2-oxo-3-pyridinyl]-L-phenylalanine methyl esterSCHEMBL6237343N-[(1,1-dimethylethoxyl)carbonyl] -4-[1,6-dimethyl-4-(trifluoromethyl)-2-oxo-3-pyridinyl]-L-phenylalanine methyl ester
Database identifiers
- PubChem CID
- 69715847
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 834
Related reactions
2 records
Compound notes
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