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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-METHIONINE-METHYLESTER
SpectraBase Compound ID A8dkB7R1Pnx
InChI InChI=1S/C17H25N7O6S/c1-9(14(26)19-10(6-7-31-5)16(28)30-4)18-11(25)8-24-12-13(20-21-24)22(2)17(29)23(3)15(12)27/h9-10H,6-8H2,1-5H3,(H,18,25)(H,19,26)/t9-,10+/m1/s1
InChIKey TVYRGDRHKULAMG-ZJUUUORDSA-N
Mol Weight 455.49 g/mol
Molecular Formula C17H25N7O6S
Exact Mass 455.158703 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CNt6OqgygMH
Name 1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-L-ALANYL-L-METHIONINE-METHYLESTER
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H25N7O6S
InChI InChI=1S/C17H25N7O6S/c1-9(14(26)19-10(6-7-31-5)16(28)30-4)18-11(25)8-24-12-13(20-21-24)22(2)17(29)23(3)15(12)27/h9-10H,6-8H2,1-5H3,(H,18,25)(H,19,26)/t9-,10+/m1/s1
InChIKey TVYRGDRHKULAMG-ZJUUUORDSA-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 455.489 g/mol
Sample ID 39635
Solvent DMSO-D6