2-[[4-[[[1-(cyclohexylmethyl)cyclobutyl]-cyclopropyl-amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[4-[[[1-(cyclohexylmethyl)cyclobutyl]-cyclopropyl-amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-[[[1-(cyclohexylmethyl)cyclobutyl]-cyclopropyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[4-[[[1-(cyclohexylmethyl)cyclobutyl]-cyclopropylamino]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-[[[1-(cyclohexylmethyl)cyclobutyl]-cyclopropylamino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[[[1-(cyclohexylmethyl)cyclobutyl]-cyclopropyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-mesyl-butyric acid Formula: C34H46N2O5S MolecularWeight: 594.80444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C3CC3)C4(CCC4)CC5CCCCC5)C(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C3CC3)C4(CCC4)CC5CCCCC5)C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C34H46N2O5S/c1-24-9-6-7-12-28(24)30-21-26(13-16-29(30)32(37)35-31(33(38)39)17-20-42(2,40)41)23-36(27-14-15-27)34(18-8-19-34)22-25-10-4-3-5-11-25/h6-7,9,12-13,16,21,25,27,31H,3-5,8,10-11,14-15,17-20,22-23H2,1-2H3,(H,35,37)(H,38,39)