N-cyclohexylcyclohexanamine; 2-(2,2-diphenylethanoylamino)-3-(diphenylmethyl)sulfanyl-propanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; 2-(2,2-diphenylethanoylamino)-3-(diphenylmethyl)sulfanyl-propanoic acid Openeye Name: 3-benzhydrylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; 3-[(diphenylmethyl)thio]-2-[(1-oxo-2,2-diphenylethyl)amino]propanoic acid IUPAC Name: 3-benzhydrylsulfanyl-2-[(2,2-diphenylacetyl)amino]propanoic acid; N-cyclohexylcyclohexanamine Traditional Name: 3-(benzhydrylthio)-2-[(2,2-diphenylacetyl)amino]propionic acid; dicyclohexylamine Formula: C42H50N2O3S MolecularWeight: 662.923

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CSC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CSC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C30H27NO3S.C12H23N/c32-29(27(22-13-5-1-6-14-22)23-15-7-2-8-16-23)31-26(30(33)34)21-35-28(24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-20,26-28H,21H2,(H,31,32)(H,33,34);11-13H,1-10H2