2-[[4-[[[1-cyclohexyl-3-(3-methylbutoxy)propan-2-yl]-methyl-amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[4-[[[1-cyclohexyl-3-(3-methylbutoxy)propan-2-yl]-methyl-amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-[[[1-(cyclohexylmethyl)-2-isopentyloxy-ethyl]-methyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[4-[[[1-cyclohexyl-3-(3-methylbutoxy)propan-2-yl]-methylamino]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-[[[1-cyclohexyl-3-(3-methylbutoxy)propan-2-yl]-methylamino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[[[1-(cyclohexylmethyl)-2-isoamoxy-ethyl]-methyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-mesyl-butyric acid Formula: C35H52N2O6S MolecularWeight: 628.86218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C)C(CC3CCCCC3)COCCC(C)C)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C)C(CC3CCCCC3)COCCC(C)C)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C35H52N2O6S/c1-25(2)17-19-43-24-29(21-27-12-7-6-8-13-27)37(4)23-28-15-16-31(32(22-28)30-14-10-9-11-26(30)3)34(38)36-33(35(39)40)18-20-44(5,41)42/h9-11,14-16,22,25,27,29,33H,6-8,12-13,17-21,23-24H2,1-5H3,(H,36,38)(H,39,40)