2-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrimidin-5-yl]methyl]propanedioic acid

Systemtic Name: 2-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrimidin-5-yl]methyl]propanedioic acid Openeye Name: 2-[[2-[bis(tert-butoxycarbonyl)amino]pyrimidin-5-yl]methyl]propanedioic acid CAS Name: 2-[[2-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-pyrimidinyl]methyl]propanedioic acid IUPAC Name: 2-[[2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrimidin-5-yl]methyl]propanedioic acid Traditional Name: 2-[[2-[bis(tert-butoxycarbonyl)amino]pyrimidin-5-yl]methyl]malonic acid Formula: C18H25N3O8 MolecularWeight: 411.4064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C1=NC=C(C=N1)CC(C(=O)O)C(=O)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N(C1=NC=C(C=N1)CC(C(=O)O)C(=O)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H25N3O8/c1-17(2,3)28-15(26)21(16(27)29-18(4,5)6)14-19-8-10(9-20-14)7-11(12(22)23)13(24)25/h8-9,11H,7H2,1-6H3,(H,22,23)(H,24,25)