2(R)-[2,2,2-trifluoro-1(S)-(4-fluorophenyl)ethylamino]-3-tritylsulfanylpropionic acid

HCID 57562095

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

Related reactions

4 records

Compound notes

Loading…