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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-METHIONINE-METHYLESTER
SpectraBase Compound ID 2b2ADEuduGY
InChI InChI=1S/C16H23N7O6S/c1-21-13-12(14(26)22(2)16(21)28)23(20-19-13)8-11(25)17-7-10(24)18-9(5-6-30-4)15(27)29-3/h9H,5-8H2,1-4H3,(H,17,25)(H,18,24)/t9-/m0/s1
InChIKey VEWOLIRGSVYPOS-VIFPVBQESA-N
Mol Weight 441.46 g/mol
Molecular Formula C16H23N7O6S
Exact Mass 441.143053 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Bz1N6j1Wa1
Name 1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-L-GLYCYL-L-METHIONINE-METHYLESTER
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H23N7O6S
InChI InChI=1S/C16H23N7O6S/c1-21-13-12(14(26)22(2)16(21)28)23(20-19-13)8-11(25)17-7-10(24)18-9(5-6-30-4)15(27)29-3/h9H,5-8H2,1-4H3,(H,17,25)(H,18,24)/t9-/m0/s1
InChIKey VEWOLIRGSVYPOS-VIFPVBQESA-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 441.462 g/mol
Sample ID 39632
Solvent DMSO-D6