Basic information
- Standard SMILES
CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2Cl)cc1)C(F)(F)F)C(=O)O- InChIKey
HJJAJPBHJGYQLC-ROUUACIJSA-N- Molecular formula
- C21H22ClF4NO4S
- Average molar mass
- 495.9 g/mol
Names & identifiers
- Preferred name
- N-{(1S)-1-[2'-chloro-4'-(methylsulfonyl)biphenyl-4-yl]-2,2,2-trifluoroethyl}-4-fluoro-L-leucine
- IUPAC
- (2S)-2-[[(1S)-1-[4-(2-chloro-4-methylsulfonylphenyl)phenyl]-2,2,2-trifluoroethyl]amino]-4-fluoro-4-methylpentanoic acid
Names & synonyms
N-{(1S)-1-[2'-chloro-4'-(methylsulfonyl)biphenyl-4-yl]-2,2,2-trifluoroethyl}-4-fluoro-L-leucineSCHEMBL2927577
Database identifiers
- PubChem CID
- 68444063
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 748
Related reactions
3 records
Compound notes
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