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

Systemtic Name: 2-[[4-[(1-cyclohexylhexan-2-ylamino)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[1-(cyclohexylmethyl)pentylamino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(1-cyclohexylhexan-2-ylamino)methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(1-cyclohexylhexan-2-ylamino)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[1-(cyclohexylmethyl)pentylamino]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C32H46N2O3S MolecularWeight: 538.78424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1CCCCC1)NCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

Isomeric SMILES

CCCCC(CC1CCCCC1)NCC2=CC(=C(C=C2)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3C

InChI

InChI=1S/C32H46N2O3S/c1-4-5-14-26(20-24-12-7-6-8-13-24)33-22-25-16-17-28(29(21-25)27-15-10-9-11-23(27)2)31(35)34-30(32(36)37)18-19-38-3/h9-11,15-17,21,24,26,30,33H,4-8,12-14,18-20,22H2,1-3H3,(H,34,35)(H,36,37)