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

Systemtic Name: 2-[[4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[(4-cyclohexyl-1-piperazinyl)methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[(4-cyclohexylpiperazin-1-yl)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(4-cyclohexylpiperazino)methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C30H41N3O3S MolecularWeight: 523.72984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)CN3CCN(CC3)C4CCCCC4)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)CN3CCN(CC3)C4CCCCC4)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C30H41N3O3S/c1-22-8-6-7-11-25(22)27-20-23(12-13-26(27)29(34)31-28(30(35)36)14-19-37-2)21-32-15-17-33(18-16-32)24-9-4-3-5-10-24/h6-8,11-13,20,24,28H,3-5,9-10,14-19,21H2,1-2H3,(H,31,34)(H,35,36)