2-azanyl-2-[4-[3-cyclohexyl-1-(ethoxycarbonylamino)-2-methyl-1-oxidanyl-propyl]-2-(2-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-azanyl-2-[4-[3-cyclohexyl-1-(ethoxycarbonylamino)-2-methyl-1-oxidanyl-propyl]-2-(2-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-2-[4-[3-cyclohexyl-1-(ethoxycarbonylamino)-1-hydroxy-2-methyl-propyl]-2-(o-tolyl)benzoyl]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-2-[[4-[3-cyclohexyl-1-(ethoxycarbonylamino)-1-hydroxy-2-methylpropyl]-2-(2-methylphenyl)phenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[4-[3-cyclohexyl-1-(ethoxycarbonylamino)-1-hydroxy-2-methylpropyl]-2-(2-methylphenyl)benzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-2-[4-[1-(carbethoxyamino)-3-cyclohexyl-1-hydroxy-2-methyl-propyl]-2-(o-tolyl)benzoyl]-4-(methylthio)butyric acid Formula: C32H44N2O6S MolecularWeight: 584.76656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(C1=CC(=C(C=C1)C(=O)C(CCSC)(C(=O)O)N)C2=CC=CC=C2C)(C(C)CC3CCCCC3)O

Isomeric SMILES

CCOC(=O)NC(C1=CC(=C(C=C1)C(=O)C(CCSC)(C(=O)O)N)C2=CC=CC=C2C)(C(C)CC3CCCCC3)O

InChI

InChI=1S/C32H44N2O6S/c1-5-40-30(38)34-32(39,22(3)19-23-12-7-6-8-13-23)24-15-16-26(27(20-24)25-14-10-9-11-21(25)2)28(35)31(33,29(36)37)17-18-41-4/h9-11,14-16,20,22-23,39H,5-8,12-13,17-19,33H2,1-4H3,(H,34,38)(H,36,37)