[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(tert-butoxycarbonylamino)propanoate CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-(tert-butoxycarbonylamino)propionic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C18H27N5O5 MolecularWeight: 393.43748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)N1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)OCC(=O)N1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C18H27N5O5/c1-18(2,3)28-17(26)21-8-5-15(25)27-13-14(24)22-9-11-23(12-10-22)16-19-6-4-7-20-16/h4,6-7H,5,8-13H2,1-3H3,(H,21,26)