N-cyclohexylcyclohexanamine; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-3-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)propanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-3-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)propionic acid; dicyclohexylamine Formula: C28H45N3O6 MolecularWeight: 519.6734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6.C12H23N/c1-16(2,3)24-15(22)18-12(13(19)20)9-17-14(21)23-10-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,18,22)(H,19,20);11-13H,1-10H2/t12-;/m0./s1