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1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-L-SERYL-L-METHIONINE-METHYLESTER
SpectraBase Compound ID 9dXuX0bsZOl
InChI InChI=1S/C17H25N7O7S/c1-22-13-12(15(28)23(2)17(22)30)24(21-20-13)7-11(26)18-10(8-25)14(27)19-9(5-6-32-4)16(29)31-3/h9-10,25H,5-8H2,1-4H3,(H,18,26)(H,19,27)/t9-,10+/m0/s1
InChIKey UYIQJCKVFZJSLK-VHSXEESVSA-N
Mol Weight 471.49 g/mol
Molecular Formula C17H25N7O7S
Exact Mass 471.153617 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KuYqmptvJIx
Name 1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-L-SERYL-L-METHIONINE-METHYLESTER
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H25N7O7S
InChI InChI=1S/C17H25N7O7S/c1-22-13-12(15(28)23(2)17(22)30)24(21-20-13)7-11(26)18-10(8-25)14(27)19-9(5-6-32-4)16(29)31-3/h9-10,25H,5-8H2,1-4H3,(H,18,26)(H,19,27)/t9-,10+/m0/s1
InChIKey UYIQJCKVFZJSLK-VHSXEESVSA-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 471.488 g/mol
Sample ID 39638
Solvent DMSO-D6