lithium 1-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrimidin-5-yl]methyl]piperidine-4-carboxylate

Systemtic Name: lithium 1-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrimidin-5-yl]methyl]piperidine-4-carboxylate Openeye Name: lithium 1-[[2-[bis(tert-butoxycarbonyl)amino]pyrimidin-5-yl]methyl]piperidine-4-carboxylate CAS Name: lithium 1-[[2-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-pyrimidinyl]methyl]-4-piperidinecarboxylate IUPAC Name: lithium 1-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrimidin-5-yl]methyl]piperidine-4-carboxylate Traditional Name: lithium 1-[[2-[bis(tert-butoxycarbonyl)amino]pyrimidin-5-yl]methyl]isonipecotate Formula: C21H31LiN4O6 MolecularWeight: 442.43504

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC(C)(C)OC(=O)N(C1=NC=C(C=N1)CN2CCC(CC2)C(=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

[Li+].CC(C)(C)OC(=O)N(C1=NC=C(C=N1)CN2CCC(CC2)C(=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N4O6.Li/c1-20(2,3)30-18(28)25(19(29)31-21(4,5)6)17-22-11-14(12-23-17)13-24-9-7-15(8-10-24)16(26)27;/h11-12,15H,7-10,13H2,1-6H3,(H,26,27);/q;+1/p-1