2-azanyl-1-cyclohexyl-6-methyl-heptane-2,3-diol; 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-azanyl-1-cyclohexyl-6-methyl-heptane-2,3-diol; 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-1-cyclohexyl-6-methyl-heptane-2,3-diol; 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-1-cyclohexyl-6-methylheptane-2,3-diol; 2-[[[4-methyl-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-amino-1-cyclohexyl-6-methylheptane-2,3-diol; 2-[[4-methyl-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-1-cyclohexyl-6-methyl-heptane-2,3-diol; 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C34H52N2O5S MolecularWeight: 600.85208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO3S.C14H29NO2/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;1-11(2)8-9-13(16)14(15,17)10-12-6-4-3-5-7-12/h4-9,12,18H,10-11H2,1-3H3,(H,21,22)(H,23,24);11-13,16-17H,3-10,15H2,1-2H3