2-[[4-[[(1-cyclohexyl-7-methyl-oct-6-en-2-yl)amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[4-[[(1-cyclohexyl-7-methyl-oct-6-en-2-yl)amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-[[[1-(cyclohexylmethyl)-6-methyl-hept-5-enyl]amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[4-[[(1-cyclohexyl-7-methyloct-6-en-2-yl)amino]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-[[(1-cyclohexyl-7-methyloct-6-en-2-yl)amino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[[[1-(cyclohexylmethyl)-6-methyl-hept-5-enyl]amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-mesyl-butyric acid Formula: C35H50N2O5S MolecularWeight: 610.8469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CNC(CCCC=C(C)C)CC3CCCCC3)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CNC(CCCC=C(C)C)CC3CCCCC3)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C35H50N2O5S/c1-25(2)12-8-10-16-29(22-27-14-6-5-7-15-27)36-24-28-18-19-31(32(23-28)30-17-11-9-13-26(30)3)34(38)37-33(35(39)40)20-21-43(4,41)42/h9,11-13,17-19,23,27,29,33,36H,5-8,10,14-16,20-22,24H2,1-4H3,(H,37,38)(H,39,40)