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1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-L-PHENYLALANINE-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-PHENYLALANINE-METHYLESTER
SpectraBase Compound ID 5dNRfvjay8n
InChI InChI=1S/C18H20N6O5/c1-22-15-14(16(26)23(2)18(22)28)24(21-20-15)10-13(25)19-12(17(27)29-3)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,19,25)/t12-/m1/s1
InChIKey PCMPCXUKHREDET-GFCCVEGCSA-N
Mol Weight 400.4 g/mol
Molecular Formula C18H20N6O5
Exact Mass 400.149518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hjlveu3PlcF
Name 1-[4,6-DIMETHYL-1H-[1,2,3]-TRIAZOLO-[4,5-D]-PYRIMIDINE-5,7(4H,6H)-DIONE]-ACETYL-L-PHENYLALANINE-METHYLESTER
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20N6O5
InChI InChI=1S/C18H20N6O5/c1-22-15-14(16(26)23(2)18(22)28)24(21-20-15)10-13(25)19-12(17(27)29-3)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,19,25)/t12-/m1/s1
InChIKey PCMPCXUKHREDET-GFCCVEGCSA-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 400.394 g/mol
Sample ID 39623
Solvent DMSO-D6