N-cyclohexylcyclohexanamine; (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid; dicyclohexylamine Formula: C25H40N2O4 MolecularWeight: 432.5961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2

InChI

InChI=1S/C13H17NO4.C12H23N/c1-9(2)11(12(15)16)14-13(17)18-8-10-6-4-3-5-7-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-7,9,11H,8H2,1-2H3,(H,14,17)(H,15,16);11-13H,1-10H2/t11-;/m0./s1