5-carboxysulfanyl-5-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl]pentanoic acid

Systemtic Name: 5-carboxysulfanyl-5-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl]pentanoic acid Openeye Name: 5-carboxysulfanyl-5-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl]pentanoic acid CAS Name: 5-(carboxythio)-5-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl]pentanoic acid IUPAC Name: 5-carboxysulfanyl-5-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl]pentanoic acid Traditional Name: 5-(carboxythio)-5-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl]valeric acid Formula: C24H35NO5S MolecularWeight: 449.6034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2C(CCCC(=O)O)SC(=O)O

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2C(CCCC(=O)O)SC(=O)O

InChI

InChI=1S/C24H35NO5S/c1-17(2)13-16-24(14-6-3-7-15-24)22(28)25-19-10-5-4-9-18(19)20(31-23(29)30)11-8-12-21(26)27/h4-5,9-10,17,20H,3,6-8,11-16H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)