N-cyclohexylcyclohexanamine; (2R)-3-methyl-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2R)-3-methyl-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: (2R)-2-(tert-butoxycarbonylamino)-3-methyl-3-(p-tolylmethylsulfanyl)butanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; (2R)-3-methyl-3-[(4-methylphenyl)methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2R)-3-methyl-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: (2R)-2-(tert-butoxycarbonylamino)-3-methyl-3-[(4-methylbenzyl)thio]butyric acid; dicyclohexylamine Formula: C30H50N2O4S MolecularWeight: 534.794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)CSC(C)(C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C18H27NO4S.C12H23N/c1-12-7-9-13(10-8-12)11-24-18(5,6)14(15(20)21)19-16(22)23-17(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7-10,14H,11H2,1-6H3,(H,19,22)(H,20,21);11-13H,1-10H2/t14-;/m1./s1