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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C20H31NO5 MolecularWeight: 365.46384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C20H31NO5/c1-19(2,3)26-18(24)21-5-4-17(23)25-12-16(22)20-9-13-6-14(10-20)8-15(7-13)11-20/h13-15H,4-12H2,1-3H3,(H,21,24)