K55

(2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid



Chemical Component Summary

Name(2S)-2-{4-butoxy-3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid
Synonyms(S)-2-{4-butoxy-3-[(2-fluoro-4-trifluoromethylbenzoylamino)methyl]benzyl} butyric acid
Identifiers(2S)-2-[[4-butoxy-3-[[[2-fluoro-4-(trifluoromethyl)phenyl]carbonylamino]methyl]phenyl]methyl]butanoic acid
FormulaC24 H27 F4 N O4
Molecular Weight469.469
TypeNON-POLYMER
Isomeric SMILESCCCCOc1ccc(cc1CNC(=O)c2ccc(cc2F)C(F)(F)F)C[C@H](CC)C(=O)O
InChIInChI=1S/C24H27F4NO4/c1-3-5-10-33-21-9-6-15(11-16(4-2)23(31)32)12-17(21)14-29-22(30)19-8-7-18(13-20(19)25)24(26,27)28/h6-9,12-13,16H,3-5,10-11,14H2,1-2H3,(H,29,30)(H,31,32)/t16-/m0/s1
InChIKeyAJSFKATVCYWKJN-INIZCTEOSA-N

Chemical Details

Formal Charge0
Atom Count60
Chiral Atom Count1
Bond Count61
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL375471
PubChem 16220190
ChEMBL CHEMBL375471