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

Systemtic Name: 2-[[5-(2-methylphenyl)-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-4-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[5-(o-tolyl)-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]butanoic acid CAS Name: 2-[[[5-(2-methylphenyl)-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridin-4-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[5-(2-methylphenyl)-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[5-(o-tolyl)-1-(3-phenylpropyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]butyric acid Formula: C27H34N2O3S MolecularWeight: 466.63546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(CCN(C2)CCCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(CCN(C2)CCCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C27H34N2O3S/c1-20-9-6-7-13-22(20)24-19-29(16-8-12-21-10-4-3-5-11-21)17-14-23(24)26(30)28-25(27(31)32)15-18-33-2/h3-7,9-11,13,25H,8,12,14-19H2,1-2H3,(H,28,30)(H,31,32)