2-[[2-cyclohexylethyl(2-ethanoylsulfanylethyl)carbamoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-cyclohexylethyl(2-ethanoylsulfanylethyl)carbamoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-acetylsulfanylethyl(2-cyclohexylethyl)carbamoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[2-(acetylthio)ethyl-(2-cyclohexylethyl)amino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-acetylsulfanylethyl(2-cyclohexylethyl)carbamoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(acetylthio)ethyl-(2-cyclohexylethyl)carbamoyl]amino]-3-phenyl-propionic acid Formula: C22H32N2O4S MolecularWeight: 420.56548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC1CCCCC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)SCCN(CCC1CCCCC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H32N2O4S/c1-17(25)29-15-14-24(13-12-18-8-4-2-5-9-18)22(28)23-20(21(26)27)16-19-10-6-3-7-11-19/h3,6-7,10-11,18,20H,2,4-5,8-9,12-16H2,1H3,(H,23,28)(H,26,27)