N-cyclohexylcyclohexanamine; (2S)-4-methylsulfanyl-2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]butanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-4-methylsulfanyl-2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]butanoic acid Openeye Name: N-cyclohexylcyclohexanamine; (2S)-2-[[1-methyl-1-(4-phenylphenyl)ethoxy]carbonylamino]-4-methylsulfanyl-butanoic acid CAS Name: N-cyclohexylcyclohexanamine; (2S)-4-(methylthio)-2-[[oxo-[2-(4-phenylphenyl)propan-2-yloxy]methyl]amino]butanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-4-methylsulfanyl-2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]butanoic acid Traditional Name: dicyclohexylamine; (2S)-2-[[1-methyl-1-(4-phenylphenyl)ethoxy]carbonylamino]-4-(methylthio)butyric acid Formula: C33H48N2O4S MolecularWeight: 568.81022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)NC(CCSC)C(=O)O.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)N[C@@H](CCSC)C(=O)O.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C21H25NO4S.C12H23N/c1-21(2,26-20(25)22-18(19(23)24)13-14-27-3)17-11-9-16(10-12-17)15-7-5-4-6-8-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24);11-13H,1-10H2/t18-;/m0./s1