2-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methyl-pyridin-3-yl]methyl]propanedioic acid

Systemtic Name: 2-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methyl-pyridin-3-yl]methyl]propanedioic acid Openeye Name: 2-[[6-[bis(tert-butoxycarbonyl)amino]-5-methyl-3-pyridyl]methyl]propanedioic acid CAS Name: 2-[[6-[bis[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-methyl-3-pyridinyl]methyl]propanedioic acid IUPAC Name: 2-[[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-methylpyridin-3-yl]methyl]propanedioic acid Traditional Name: 2-[[6-[bis(tert-butoxycarbonyl)amino]-5-methyl-3-pyridyl]methyl]malonic acid Formula: C20H28N2O8 MolecularWeight: 424.44492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC(=C1)CC(C(=O)O)C(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(N=CC(=C1)CC(C(=O)O)C(=O)O)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N2O8/c1-11-8-12(9-13(15(23)24)16(25)26)10-21-14(11)22(17(27)29-19(2,3)4)18(28)30-20(5,6)7/h8,10,13H,9H2,1-7H3,(H,23,24)(H,25,26)