4-methylsulfanyl-2-[[4-(4-propylcyclohexyl)phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[4-(4-propylcyclohexyl)phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-(4-propylcyclohexyl)benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-(4-propylcyclohexyl)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[4-(4-propylcyclohexyl)benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[4-(4-propylcyclohexyl)benzoyl]amino]butyric acid Formula: C21H31NO3S MolecularWeight: 377.54074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C21H31NO3S/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)20(23)22-19(21(24)25)13-14-26-2/h9-12,15-16,19H,3-8,13-14H2,1-2H3,(H,22,23)(H,24,25)