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

Systemtic Name: 2-[[4-[[(1-cyclohexyl-2-methyl-propan-2-yl)-cyclopropyl-amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-[[(2-cyclohexyl-1,1-dimethyl-ethyl)-cyclopropyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[4-[[(1-cyclohexyl-2-methylpropan-2-yl)-cyclopropylamino]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-[[(1-cyclohexyl-2-methylpropan-2-yl)-cyclopropylamino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[[(2-cyclohexyl-1,1-dimethyl-ethyl)-cyclopropyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-mesyl-butyric acid Formula: C33H46N2O5S MolecularWeight: 582.79374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C3CC3)C(C)(C)CC4CCCCC4)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C3CC3)C(C)(C)CC4CCCCC4)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C33H46N2O5S/c1-23-10-8-9-13-27(23)29-20-25(14-17-28(29)31(36)34-30(32(37)38)18-19-41(4,39)40)22-35(26-15-16-26)33(2,3)21-24-11-6-5-7-12-24/h8-10,13-14,17,20,24,26,30H,5-7,11-12,15-16,18-19,21-22H2,1-4H3,(H,34,36)(H,37,38)