2-[[2-(2-methylphenyl)-4-(2-quinolin-3-ylethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(2-quinolin-3-ylethyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[2-(3-quinolyl)ethyl]benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[2-(3-quinolinyl)ethyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-(2-quinolin-3-ylethyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-[2-(3-quinolyl)ethyl]benzoyl]amino]butyric acid Formula: C30H30N2O3S MolecularWeight: 498.6358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CCC3=CC4=CC=CC=C4N=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CCC3=CC4=CC=CC=C4N=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C30H30N2O3S/c1-20-7-3-5-9-24(20)26-18-21(11-12-22-17-23-8-4-6-10-27(23)31-19-22)13-14-25(26)29(33)32-28(30(34)35)15-16-36-2/h3-10,13-14,17-19,28H,11-12,15-16H2,1-2H3,(H,32,33)(H,34,35)