N-cyclohexylcyclohexanamine; (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-tert-butoxy-butanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-tert-butoxy-butyric acid; dicyclohexylamine Formula: C28H46N2O5 MolecularWeight: 490.67524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO5.C12H23N/c1-11(22-16(2,3)4)13(14(18)19)17-15(20)21-10-12-8-6-5-7-9-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-9,11,13H,10H2,1-4H3,(H,17,20)(H,18,19);11-13H,1-10H2/t11?,13-;/m0./s1