Basic information
- Standard SMILES
O=C(O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)N[C@@H](c1ccc(F)cc1)C(F)(F)F- InChIKey
FQTDOGBWUSSSKH-SVBPBHIXSA-N- Molecular formula
- C30H25F4NO2S
- Average molar mass
- 539.6 g/mol
- Monoisotopic mass
- 539.15421286
Names & identifiers
- Preferred name
- 2(R)-[2,2,2-trifluoro-1(S)-(4-fluorophenyl)ethylamino]-3-tritylsulfanylpropionic acid
- IUPAC
- (2R)-2-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]-3-tritylsulfanylpropanoic acid
Names & synonyms
2(R)-[2,2,2-trifluoro-1(S)-(4-fluorophenyl)ethylamino]-3-tritylsulfanylpropionic acidSCHEMBL12729102(R)-[2,2,2-trifluoro-1-(S)-(4-fluorophenyl)ethylamino]-3-tritylsulfanylpropionic acid
Database identifiers
- PubChem CID
- 57562095
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 679
Related reactions
4 records
Compound notes
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