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

Systemtic Name: 2-[[4-[[(1-cyclohexyl-2-methyl-propan-2-yl)-propan-2-yl-amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[(2-cyclohexyl-1,1-dimethyl-ethyl)-isopropyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[(1-cyclohexyl-2-methylpropan-2-yl)-propan-2-ylamino]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[[(1-cyclohexyl-2-methylpropan-2-yl)-propan-2-ylamino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[(2-cyclohexyl-1,1-dimethyl-ethyl)-isopropyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C33H48N2O3S MolecularWeight: 552.81082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48N2O3S/c1-23(2)35(33(4,5)21-25-13-8-7-9-14-25)22-26-16-17-28(29(20-26)27-15-11-10-12-24(27)3)31(36)34-30(32(37)38)18-19-39-6/h10-12,15-17,20,23,25,30H,7-9,13-14,18-19,21-22H2,1-6H3,(H,34,36)(H,37,38)