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N-[4-[2-(2-AMINO-4,7-DIOXO-3,4,5,6,7,8-HEXAHYDROPYRIDO-[2,3-D]-PYRIMIDIN-6-YL)-ETHYL]-BENZOYL]-L-GLUTAMIC-ACID
SpectraBase Compound ID Keon7HG08ow
InChI InChI=1S/C21H23N5O7/c22-21-25-16-13(19(31)26-21)9-12(18(30)24-16)6-3-10-1-4-11(5-2-10)17(29)23-14(20(32)33)7-8-15(27)28/h1-2,4-5,12,14H,3,6-9H2,(H,23,29)(H,27,28)(H,32,33)(H4,22,24,25,26,30,31)
InChIKey YNTGZLFUECZOLJ-UHFFFAOYSA-N
Mol Weight 457.44 g/mol
Molecular Formula C21H23N5O7
Exact Mass 457.159748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HsLU63IWk7g
Name N-[4-[2-(2-AMINO-4,7-DIOXO-3,4,5,6,7,8-HEXAHYDROPYRIDO-[2,3-D]-PYRIMIDIN-6-YL)-ETHYL]-BENZOYL]-L-GLUTAMIC-ACID
Compound Number 18C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23N5O7
InChI InChI=1S/C21H23N5O7/c22-21-25-16-13(19(31)26-21)9-12(18(30)24-16)6-3-10-1-4-11(5-2-10)17(29)23-14(20(32)33)7-8-15(27)28/h1-2,4-5,12,14H,3,6-9H2,(H,23,29)(H,27,28)(H,32,33)(H4,22,24,25,26,30,31)
InChIKey YNTGZLFUECZOLJ-UHFFFAOYSA-N
Literature Reference Author J.I.BORRELL,J.TEIXIDO,J.L.MATALLANA,B.MARTINEZ-TEIPEL,C.COLO MINAS,M.COSTA,M.BALC
Literature Reference Citation J.MED.CHEM.,44,2366(2001)
Literature Reference DOI 10.1021/jm990411u
Molecular Weight 457.443 g/mol
Sample ID 44624
Solvent TFA-D