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

Systemtic Name: 2-[[4-[[[1-cyclohexyl-3-(3-methylbutoxy)propan-2-yl]amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[[1-(cyclohexylmethyl)-2-isopentyloxy-ethyl]amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[[1-cyclohexyl-3-(3-methylbutoxy)propan-2-yl]amino]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[[[1-cyclohexyl-3-(3-methylbutoxy)propan-2-yl]amino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[[1-(cyclohexylmethyl)-2-isoamoxy-ethyl]amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C34H50N2O4S MolecularWeight: 582.8368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CNC(CC3CCCCC3)COCCC(C)C)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CNC(CC3CCCCC3)COCCC(C)C)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C34H50N2O4S/c1-24(2)16-18-40-23-28(20-26-11-6-5-7-12-26)35-22-27-14-15-30(31(21-27)29-13-9-8-10-25(29)3)33(37)36-32(34(38)39)17-19-41-4/h8-10,13-15,21,24,26,28,32,35H,5-7,11-12,16-20,22-23H2,1-4H3,(H,36,37)(H,38,39)