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

Systemtic Name: 2-[[1-(3-cyclohexylpropoxycarbonyl)-5-(2-methylphenyl)-3,6-dihydro-2H-pyridin-4-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[1-(3-cyclohexylpropoxycarbonyl)-5-(o-tolyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[1-[3-cyclohexylpropoxy(oxo)methyl]-5-(2-methylphenyl)-3,6-dihydro-2H-pyridin-4-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[1-(3-cyclohexylpropoxycarbonyl)-5-(2-methylphenyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[1-(3-cyclohexylpropoxycarbonyl)-5-(o-tolyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]-4-(methylthio)butyric acid Formula: C28H40N2O5S MolecularWeight: 516.6926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(CCN(C2)C(=O)OCCCC3CCCCC3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(CCN(C2)C(=O)OCCCC3CCCCC3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C28H40N2O5S/c1-20-9-6-7-13-22(20)24-19-30(28(34)35-17-8-12-21-10-4-3-5-11-21)16-14-23(24)26(31)29-25(27(32)33)15-18-36-2/h6-7,9,13,21,25H,3-5,8,10-12,14-19H2,1-2H3,(H,29,31)(H,32,33)