2-[[4-[(3-cyclohexyl-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[(3-cyclohexyl-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl)oxymethyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[1-(cyclohexylmethyl)-2-oxo-2-(1-piperidyl)ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[3-cyclohexyl-1-oxo-1-(1-piperidinyl)propan-2-yl]oxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(3-cyclohexyl-1-oxo-1-piperidin-1-ylpropan-2-yl)oxymethyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[1-(cyclohexylmethyl)-2-keto-2-piperidino-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C34H46N2O5S MolecularWeight: 594.80444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CC3CCCCC3)C(=O)N4CCCCC4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)COC(CC3CCCCC3)C(=O)N4CCCCC4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C34H46N2O5S/c1-24-11-7-8-14-27(24)29-21-26(15-16-28(29)32(37)35-30(34(39)40)17-20-42-2)23-41-31(22-25-12-5-3-6-13-25)33(38)36-18-9-4-10-19-36/h7-8,11,14-16,21,25,30-31H,3-6,9-10,12-13,17-20,22-23H2,1-2H3,(H,35,37)(H,39,40)