2-azanyl-3-[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]-2-(4-methylsulfanylphenyl)propanoic acid

Systemtic Name: 2-azanyl-3-[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]-2-(4-methylsulfanylphenyl)propanoic acid Openeye Name: 2-amino-3-[3-[6-(1-cyano-1-methyl-ethyl)-8-quinolyl]phenyl]-2-(4-methylsulfanylphenyl)propanoic acid CAS Name: 2-amino-3-[3-[6-(2-cyanopropan-2-yl)-8-quinolinyl]phenyl]-2-[4-(methylthio)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[6-(2-cyanopropan-2-yl)quinolin-8-yl]phenyl]-2-(4-methylsulfanylphenyl)propanoic acid Traditional Name: 2-amino-3-[3-[6-(1-cyano-1-methyl-ethyl)-8-quinolyl]phenyl]-2-[4-(methylthio)phenyl]propionic acid Formula: C29H27N3O2S MolecularWeight: 481.60858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CC(C4=CC=C(C=C4)SC)(C(=O)O)N

Isomeric SMILES

CC(C)(C#N)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)CC(C4=CC=C(C=C4)SC)(C(=O)O)N

InChI

InChI=1S/C29H27N3O2S/c1-28(2,18-30)23-15-21-8-5-13-32-26(21)25(16-23)20-7-4-6-19(14-20)17-29(31,27(33)34)22-9-11-24(35-3)12-10-22/h4-16H,17,31H2,1-3H3,(H,33,34)