2-[[4-[[[1-cyclohexyl-3-[(2-methylpropan-2-yl)oxy]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]amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[[1-(tert-butoxymethyl)-2-cyclohexyl-ethyl]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]amino]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]amino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[[1-(tert-butoxymethyl)-2-cyclohexyl-ethyl]amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C33H48N2O4S MolecularWeight: 568.81022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48N2O4S/c1-23-11-9-10-14-27(23)29-20-25(15-16-28(29)31(36)35-30(32(37)38)17-18-40-5)21-34-26(22-39-33(2,3)4)19-24-12-7-6-8-13-24/h9-11,14-16,20,24,26,30,34H,6-8,12-13,17-19,21-22H2,1-5H3,(H,35,36)(H,37,38)