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1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-L-GLYCYL-L-SERINE-METHYLESTER

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1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-L-GLYCYL-L-SERINE-METHYLESTER
SpectraBase Compound ID KT9fFmJcPec
InChI InChI=1S/2C14H19N7O7/c2*1-19-11-10(12(25)20(2)14(19)27)21(18-17-11)5-9(24)15-4-8(23)16-7(6-22)13(26)28-3/h2*7,22H,4-6H2,1-3H3,(H,15,24)(H,16,23)/t2*7-/m00/s1
InChIKey ROWXUYDUJSQOAF-VGMFFHCQSA-N
Mol Weight 794.7 g/mol
Molecular Formula C28H38N14O14
Exact Mass 794.269192 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 72mavNzXqAT
Name 1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-L-GLYCYL-L-SERINE-METHYLESTER
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38N14O14
InChI InChI=1S/2C14H19N7O7/c2*1-19-11-10(12(25)20(2)14(19)27)21(18-17-11)5-9(24)15-4-8(23)16-7(6-22)13(26)28-3/h2*7,22H,4-6H2,1-3H3,(H,15,24)(H,16,23)/t2*7-/m00/s1
InChIKey ROWXUYDUJSQOAF-VGMFFHCQSA-N
Literature Reference Author A.A.H.ABDEL-RAHMAN
Literature Reference Citation MH.CHEM.,139,61(2008)
Literature Reference DOI 10.1007/s00706-007-0745-8
Molecular Weight 794.695 g/mol
Sample ID 39629
Solvent DMSO-D6