[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C21H34N2O5 MolecularWeight: 394.50506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C21H34N2O5/c1-20(2,3)28-19(26)22-6-4-5-18(25)27-13-17(24)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h14-16H,4-13H2,1-3H3,(H,22,26)(H,23,24)