1-cyclohexyl-6-methyl-heptan-2-amine; 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 1-cyclohexyl-6-methyl-heptan-2-amine; 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 1-cyclohexyl-6-methyl-heptan-2-amine; 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 1-cyclohexyl-6-methyl-2-heptanamine; 2-[[[4-methyl-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 1-cyclohexyl-6-methylheptan-2-amine; 2-[[4-methyl-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: [1-(cyclohexylmethyl)-5-methyl-hexyl]amine; 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C34H52N2O3S MolecularWeight: 568.85328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C.CC(C)CCCC(CC1CCCCC1)N

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C.CC(C)CCCC(CC1CCCCC1)N

InChI

InChI=1S/C20H23NO3S.C14H29N/c1-13-8-9-16(17(12-13)15-7-5-4-6-14(15)2)19(22)21-18(20(23)24)10-11-25-3;1-12(2)7-6-10-14(15)11-13-8-4-3-5-9-13/h4-9,12,18H,10-11H2,1-3H3,(H,21,22)(H,23,24);12-14H,3-11,15H2,1-2H3