3-[4-(2,6-dimethylphenyl)phenyl]-2-[(1-methyl-4-methylsulfonyl-piperidin-4-yl)carbonylamino]propanoic acid

Systemtic Name: 3-[4-(2,6-dimethylphenyl)phenyl]-2-[(1-methyl-4-methylsulfonyl-piperidin-4-yl)carbonylamino]propanoic acid Openeye Name: 3-[4-(2,6-dimethylphenyl)phenyl]-2-[(1-methyl-4-methylsulfonyl-piperidine-4-carbonyl)amino]propanoic acid CAS Name: 3-[4-(2,6-dimethylphenyl)phenyl]-2-[[(1-methyl-4-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[4-(2,6-dimethylphenyl)phenyl]-2-[(1-methyl-4-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid Traditional Name: 3-[4-(2,6-dimethylphenyl)phenyl]-2-[(4-mesyl-1-methyl-isonipecotoyl)amino]propionic acid Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3(CCN(CC3)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3(CCN(CC3)C)S(=O)(=O)C

InChI

InChI=1S/C25H32N2O5S/c1-17-6-5-7-18(2)22(17)20-10-8-19(9-11-20)16-21(23(28)29)26-24(30)25(33(4,31)32)12-14-27(3)15-13-25/h5-11,21H,12-16H2,1-4H3,(H,26,30)(H,28,29)