(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(2,3,5,6-tetrafluorophenyl)propanoic acid
Basic information
- CAS
1093786-45-8- Standard SMILES
O=C(N[C@@H](Cc1c(F)c(F)cc(F)c1F)C(=O)O)OCC1c2ccccc2-c2ccccc21- InChIKey
KBWGWBJKVOKBHT-FQEVSTJZSA-N- Molecular formula
- C24H17F4NO4
- Average molar mass
- 459.4 g/mol
- Monoisotopic mass
- 459.10937067
Names & identifiers
- Preferred name
- (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(2,3,5,6-tetrafluorophenyl)propanoic acid
- IUPAC
- (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2,3,5,6-tetrafluorophenyl)propanoic acid
Names & synonyms
1093786-45-8(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(2,3,5,6-tetrafluorophenyl)propanoic acid
Database identifiers
- CAS
1093786-45-8- PubChem CID
- 178201434
- EC Number
- 194-423-9
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 676
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