2-azanyl-2-[4-[(1-cyclohexylpropan-2-ylamino)-oxidanyl-methyl]-2-(2-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-azanyl-2-[4-[(1-cyclohexylpropan-2-ylamino)-oxidanyl-methyl]-2-(2-methylphenyl)phenyl]carbonyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-2-[4-[[(2-cyclohexyl-1-methyl-ethyl)amino]-hydroxy-methyl]-2-(o-tolyl)benzoyl]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-2-[[4-[(1-cyclohexylpropan-2-ylamino)-hydroxymethyl]-2-(2-methylphenyl)phenyl]-oxomethyl]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-2-[4-[(1-cyclohexylpropan-2-ylamino)-hydroxymethyl]-2-(2-methylphenyl)benzoyl]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-2-[4-[[(2-cyclohexyl-1-methyl-ethyl)amino]-hydroxy-methyl]-2-(o-tolyl)benzoyl]-4-(methylthio)butyric acid Formula: C29H40N2O4S MolecularWeight: 512.7039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O4S/c1-19-9-7-8-12-23(19)25-18-22(27(33)31-20(2)17-21-10-5-4-6-11-21)13-14-24(25)26(32)29(30,28(34)35)15-16-36-3/h7-9,12-14,18,20-21,27,31,33H,4-6,10-11,15-17,30H2,1-3H3,(H,34,35)