N-cyclohexylcyclohexanamine; 2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-(4-phenylcyclohexyl)amino]ethanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 2-[[2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]-(4-phenylcyclohexyl)amino]ethanoic acid Openeye Name: 2-[(3-benzoylsulfanyl-2-methyl-propanoyl)-(4-phenylcyclohexyl)amino]acetic acid; N-cyclohexylcyclohexanamine CAS Name: 2-[[3-(benzoylthio)-2-methyl-1-oxopropyl]-(4-phenylcyclohexyl)amino]acetic acid; N-cyclohexylcyclohexanamine IUPAC Name: 2-[(3-benzoylsulfanyl-2-methylpropanoyl)-(4-phenylcyclohexyl)amino]acetic acid; N-cyclohexylcyclohexanamine Traditional Name: 2-[[3-(benzoylthio)-2-methyl-propanoyl]-(4-phenylcyclohexyl)amino]acetic acid; dicyclohexylamine Formula: C37H52N2O4S MolecularWeight: 620.88478

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N(CC(=O)O)C2CCC(CC2)C3=CC=CC=C3.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CC(CSC(=O)C1=CC=CC=C1)C(=O)N(CC(=O)O)C2CCC(CC2)C3=CC=CC=C3.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C25H29NO4S.C12H23N/c1-18(17-31-25(30)21-10-6-3-7-11-21)24(29)26(16-23(27)28)22-14-12-20(13-15-22)19-8-4-2-5-9-19;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2-11,18,20,22H,12-17H2,1H3,(H,27,28);11-13H,1-10H2