[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H34N2O5 MolecularWeight: 394.50506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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