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

Systemtic Name: 2-[[1-(3-cyclohexylpropoxycarbonyl)-5-(2-methylphenyl)-3,6-dihydro-2H-pyridin-4-yl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[1-(3-cyclohexylpropoxycarbonyl)-5-(o-tolyl)-3,6-dihydro-2H-pyridin-4-yl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[1-[3-cyclohexylpropoxy(oxo)methyl]-5-(2-methylphenyl)-3,6-dihydro-2H-pyridin-4-yl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[1-(3-cyclohexylpropoxycarbonyl)-5-(2-methylphenyl)-3,6-dihydro-2H-pyridin-4-yl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[1-(3-cyclohexylpropoxycarbonyl)-5-(o-tolyl)-3,6-dihydro-2H-pyridin-4-yl]amino]-4-(methylthio)butyric acid Formula: C27H40N2O4S MolecularWeight: 488.6825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O4S/c1-20-9-6-7-13-22(20)23-19-29(16-14-24(23)28-25(26(30)31)15-18-34-2)27(32)33-17-8-12-21-10-4-3-5-11-21/h6-7,9,13,21,25,28H,3-5,8,10-12,14-19H2,1-2H3,(H,30,31)