2-[[1-(2-cyclohexyloxyethoxycarbonyl)-5-(2-methylphenyl)-3,6-dihydro-2H-pyridin-4-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[1-(2-cyclohexyloxyethoxycarbonyl)-5-(2-methylphenyl)-3,6-dihydro-2H-pyridin-4-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[1-[2-(cyclohexoxy)ethoxycarbonyl]-5-(o-tolyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[1-[2-cyclohexyloxyethoxy(oxo)methyl]-5-(2-methylphenyl)-3,6-dihydro-2H-pyridin-4-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[1-(2-cyclohexyloxyethoxycarbonyl)-5-(2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[1-[2-(cyclohexoxy)ethoxycarbonyl]-5-(o-tolyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]-4-(methylthio)butyric acid Formula: C27H38N2O6S MolecularWeight: 518.66542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(CCN(C2)C(=O)OCCOC3CCCCC3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(CCN(C2)C(=O)OCCOC3CCCCC3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C27H38N2O6S/c1-19-8-6-7-11-21(19)23-18-29(27(33)35-16-15-34-20-9-4-3-5-10-20)14-12-22(23)25(30)28-24(26(31)32)13-17-36-2/h6-8,11,20,24H,3-5,9-10,12-18H2,1-2H3,(H,28,30)(H,31,32)