Chemical Component Summary

Name4-({(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-1H-benzimidazol-1-yl]-2-cyclohexylacetyl}amino)-3,5-difluorobenzoic acid
Identifiers4-[[(2S)-2-[2-(4-chlorophenyl)-5,6-difluoro-benzimidazol-1-yl]-2-cyclohexyl-ethanoyl]amino]-3,5-difluoro-benzoic acid
FormulaC28 H22 Cl F4 N3 O3
Molecular Weight559.939
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1c2nc3cc(c(cc3n2[C@@H](C4CCCCC4)C(=O)Nc5c(cc(cc5F)C(=O)O)F)F)F)Cl
InChIInChI=1S/C28H22ClF4N3O3/c29-17-8-6-15(7-9-17)26-34-22-12-18(30)19(31)13-23(22)36(26)25(14-4-2-1-3-5-14)27(37)35-24-20(32)10-16(28(38)39)11-21(24)33/h6-14,25H,1-5H2,(H,35,37)(H,38,39)/t25-/m0/s1
InChIKeyMRVUTCGFXDGVGC-VWLOTQADSA-N

Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count1
Bond Count65
Aromatic Bond Count23

Related Resource References

Resource NameReference
Pharos CHEMBL1615154
PubChem 49837871
ChEMBL CHEMBL1615154