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

Systemtic Name: 2-[[4-[[[1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]-propan-2-yl-amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[[1-(tert-butoxymethyl)-2-cyclohexyl-ethyl]-isopropyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[[1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]-propan-2-ylamino]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[[[1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]-propan-2-ylamino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[[1-(tert-butoxymethyl)-2-cyclohexyl-ethyl]-isopropyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C36H54N2O4S MolecularWeight: 610.88996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C(C)C)C(CC3CCCCC3)COC(C)(C)C)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN(C(C)C)C(CC3CCCCC3)COC(C)(C)C)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C36H54N2O4S/c1-25(2)38(29(24-42-36(4,5)6)21-27-14-9-8-10-15-27)23-28-17-18-31(32(22-28)30-16-12-11-13-26(30)3)34(39)37-33(35(40)41)19-20-43-7/h11-13,16-18,22,25,27,29,33H,8-10,14-15,19-21,23-24H2,1-7H3,(H,37,39)(H,40,41)