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

Systemtic Name: 2-[[4-[(1-cyclohexylpropan-2-ylamino)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[(2-cyclohexyl-1-methyl-ethyl)amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(1-cyclohexylpropan-2-ylamino)methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(1-cyclohexylpropan-2-ylamino)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[(2-cyclohexyl-1-methyl-ethyl)amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C29H40N2O3S MolecularWeight: 496.7045

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H40N2O3S/c1-20-9-7-8-12-24(20)26-18-23(19-30-21(2)17-22-10-5-4-6-11-22)13-14-25(26)28(32)31-27(29(33)34)15-16-35-3/h7-9,12-14,18,21-22,27,30H,4-6,10-11,15-17,19H2,1-3H3,(H,31,32)(H,33,34)