N-cyclohexylcyclohexanamine; (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; (2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-methyl-butyric acid; dicyclohexylamine Formula: C22H42N2O4 MolecularWeight: 398.57988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N.C10H19NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h11-13H,1-10H2;6-7H,1-5H3,(H,11,14)(H,12,13)/t;7-/m.0/s1