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1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-L-ALANYL-L-SERINE-METHYLESTER
SpectraBase Compound ID BSbGZYIqtgS
InChI InChI=1S/C15H21N7O7/c1-7(12(25)17-8(6-23)14(27)29-4)16-9(24)5-22-10-11(18-19-22)20(2)15(28)21(3)13(10)26/h7-8,23H,5-6H2,1-4H3,(H,16,24)(H,17,25)/t7-,8+/m1/s1
InChIKey ACTMYPIKLACOTG-SFYZADRCSA-N
Mol Weight 411.38 g/mol
Molecular Formula C15H21N7O7
Exact Mass 411.150246 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID hoOOiyqn5w
Name 1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-L-ALANYL-L-SERINE-METHYLESTER
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H21N7O7
InChI InChI=1S/C15H21N7O7/c1-7(12(25)17-8(6-23)14(27)29-4)16-9(24)5-22-10-11(18-19-22)20(2)15(28)21(3)13(10)26/h7-8,23H,5-6H2,1-4H3,(H,16,24)(H,17,25)/t7-,8+/m1/s1
InChIKey ACTMYPIKLACOTG-SFYZADRCSA-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 411.374 g/mol
Sample ID 39634
Solvent DMSO-D6