2-[[4-[[methyl-(2-methyl-1-phenyl-propan-2-yl)amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[4-[[methyl-(2-methyl-1-phenyl-propan-2-yl)amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-[[(1,1-dimethyl-2-phenyl-ethyl)-methyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[4-[[methyl-(2-methyl-1-phenylpropan-2-yl)amino]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-[[methyl-(2-methyl-1-phenylpropan-2-yl)amino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[[(1,1-dimethyl-2-phenyl-ethyl)-methyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-mesyl-butyric acid Formula: C31H38N2O5S MolecularWeight: 550.70882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N2O5S/c1-22-11-9-10-14-25(22)27-19-24(21-33(4)31(2,3)20-23-12-7-6-8-13-23)15-16-26(27)29(34)32-28(30(35)36)17-18-39(5,37)38/h6-16,19,28H,17-18,20-21H2,1-5H3,(H,32,34)(H,35,36)