N-cyclohexylcyclohexanamine; 1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4,4-dimethoxy-pyrrolidine-2-carboxylic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-4,4-dimethoxy-pyrrolidine-2-carboxylic acid Openeye Name: 1-(3-acetylsulfanyl-2-methyl-propanoyl)-4,4-dimethoxy-pyrrolidine-2-carboxylic acid; N-cyclohexylcyclohexanamine CAS Name: 1-[3-(acetylthio)-2-methyl-1-oxopropyl]-4,4-dimethoxy-2-pyrrolidinecarboxylic acid; N-cyclohexylcyclohexanamine IUPAC Name: 1-(3-acetylsulfanyl-2-methylpropanoyl)-4,4-dimethoxypyrrolidine-2-carboxylic acid; N-cyclohexylcyclohexanamine Traditional Name: 1-[3-(acetylthio)-2-methyl-propanoyl]-4,4-dimethoxy-proline; dicyclohexylamine Formula: C25H44N2O6S MolecularWeight: 500.69166

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC(CC1C(=O)O)(OC)OC.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CC(CC1C(=O)O)(OC)OC.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C13H21NO6S.C12H23N/c1-8(6-21-9(2)15)11(16)14-7-13(19-3,20-4)5-10(14)12(17)18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8,10H,5-7H2,1-4H3,(H,17,18);11-13H,1-10H2