Chemical Component Summary

Name4-bromo-3-(carboxymethoxy)-5-{3-[cyclohexyl(phenylcarbonyl)amino]phenyl}thiophene-2-carboxylic acid
Identifiers4-bromo-3-(carboxymethyloxy)-5-[3-(cyclohexyl-(phenylcarbonyl)amino)phenyl]thiophene-2-carboxylic acid
FormulaC26 H24 Br N O6 S
Molecular Weight558.441
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)C(=O)N(c2cccc(c2)c3c(c(c(s3)C(=O)O)OCC(=O)O)Br)C4CCCCC4
InChIInChI=1S/C26H24BrNO6S/c27-21-22(34-15-20(29)30)24(26(32)33)35-23(21)17-10-7-13-19(14-17)28(18-11-5-2-6-12-18)25(31)16-8-3-1-4-9-16/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15H2,(H,29,30)(H,32,33)
InChIKeyNXCMIBOFUBPJDM-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count0
Bond Count62
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 24941242