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

Systemtic Name: 2-[[5-(2-methylphenyl)-1-(2-phenylmethoxyhexyl)-3,6-dihydro-2H-pyridin-4-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[1-(2-benzyloxyhexyl)-5-(o-tolyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[5-(2-methylphenyl)-1-(2-phenylmethoxyhexyl)-3,6-dihydro-2H-pyridin-4-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[5-(2-methylphenyl)-1-(2-phenylmethoxyhexyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[1-(2-benzoxyhexyl)-5-(o-tolyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]-4-(methylthio)butyric acid Formula: C31H42N2O4S MolecularWeight: 538.74118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CN1CCC(=C(C1)C2=CC=CC=C2C)C(=O)NC(CCSC)C(=O)O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC(CN1CCC(=C(C1)C2=CC=CC=C2C)C(=O)NC(CCSC)C(=O)O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H42N2O4S/c1-4-5-14-25(37-22-24-12-7-6-8-13-24)20-33-18-16-27(28(21-33)26-15-10-9-11-23(26)2)30(34)32-29(31(35)36)17-19-38-3/h6-13,15,25,29H,4-5,14,16-22H2,1-3H3,(H,32,34)(H,35,36)