2-[[4-[[(1-cyclohexyl-7-methyl-oct-6-en-2-yl)-methyl-amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[[(1-cyclohexyl-7-methyl-oct-6-en-2-yl)-methyl-amino]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[[1-(cyclohexylmethyl)-6-methyl-hept-5-enyl]-methyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[(1-cyclohexyl-7-methyloct-6-en-2-yl)-methylamino]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[[(1-cyclohexyl-7-methyloct-6-en-2-yl)-methylamino]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[[[1-(cyclohexylmethyl)-6-methyl-hept-5-enyl]-methyl-amino]methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C36H52N2O3S MolecularWeight: 592.87468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H52N2O3S/c1-26(2)13-9-11-17-30(23-28-15-7-6-8-16-28)38(4)25-29-19-20-32(33(24-29)31-18-12-10-14-27(31)3)35(39)37-34(36(40)41)21-22-42-5/h10,12-14,18-20,24,28,30,34H,6-9,11,15-17,21-23,25H2,1-5H3,(H,37,39)(H,40,41)