N-cyclohexylcyclohexanamine; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: (2S)-4-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)butanoic acid; N-cyclohexylcyclohexanamine CAS Name: N-cyclohexylcyclohexanamine; (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: (2S)-4-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)butyric acid; dicyclohexylamine Formula: C29H47N3O6 MolecularWeight: 533.69998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O6.C12H23N/c1-17(2,3)25-16(23)19-13(14(20)21)9-10-18-15(22)24-11-12-7-5-4-6-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,23)(H,20,21);11-13H,1-10H2/t13-;/m0./s1