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

Systemtic Name: 2-[[5-(2-methylphenyl)-1-(2-pyridin-3-ylethanoyl)-3,6-dihydro-2H-pyridin-4-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[5-(o-tolyl)-1-[2-(3-pyridyl)acetyl]-3,6-dihydro-2H-pyridine-4-carbonyl]amino]butanoic acid CAS Name: 2-[[[5-(2-methylphenyl)-1-[1-oxo-2-(3-pyridinyl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[5-(2-methylphenyl)-1-(2-pyridin-3-ylacetyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[5-(o-tolyl)-1-[2-(3-pyridyl)acetyl]-3,6-dihydro-2H-pyridine-4-carbonyl]amino]butyric acid Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(CCN(C2)C(=O)CC3=CN=CC=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(CCN(C2)C(=O)CC3=CN=CC=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C25H29N3O4S/c1-17-6-3-4-8-19(17)21-16-28(23(29)14-18-7-5-11-26-15-18)12-9-20(21)24(30)27-22(25(31)32)10-13-33-2/h3-8,11,15,22H,9-10,12-14,16H2,1-2H3,(H,27,30)(H,31,32)