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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4-(tert-butoxycarbonylamino)butanoate CAS Name: 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-(tert-butoxycarbonylamino)butyric acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H36N2O5 MolecularWeight: 408.53164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C22H36N2O5/c1-21(2,3)29-20(27)23-6-4-5-19(26)28-13-18(25)24-14-22-10-15-7-16(11-22)9-17(8-15)12-22/h15-17H,4-14H2,1-3H3,(H,23,27)(H,24,25)