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N-[4-[N-(2-AMINO-4,7-DIOXO-3,4,5,6,7,8-HEXAHYDROPYRIDO-[2,3-D]-PYRIMIDIN-6-YLMETHYL)-AMINO]-BENZOYL]-L-GLUTAMIC-ACID
SpectraBase Compound ID FKlQVOIHXwJ
InChI InChI=1S/C20H22N6O7/c21-20-25-15-12(18(31)26-20)7-10(17(30)24-15)8-22-11-3-1-9(2-4-11)16(29)23-13(19(32)33)5-6-14(27)28/h1-4,10,13,22H,5-8H2,(H,23,29)(H,27,28)(H,32,33)(H4,21,24,25,26,30,31)
InChIKey OGQYTBYSLHJGKK-UHFFFAOYSA-N
Mol Weight 458.43 g/mol
Molecular Formula C20H22N6O7
Exact Mass 458.154997 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FXlK3PDewAk
Name N-[4-[N-(2-AMINO-4,7-DIOXO-3,4,5,6,7,8-HEXAHYDROPYRIDO-[2,3-D]-PYRIMIDIN-6-YLMETHYL)-AMINO]-BENZOYL]-L-GLUTAMIC-ACID
Compound Number 18B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22N6O7
InChI InChI=1S/C20H22N6O7/c21-20-25-15-12(18(31)26-20)7-10(17(30)24-15)8-22-11-3-1-9(2-4-11)16(29)23-13(19(32)33)5-6-14(27)28/h1-4,10,13,22H,5-8H2,(H,23,29)(H,27,28)(H,32,33)(H4,21,24,25,26,30,31)
InChIKey OGQYTBYSLHJGKK-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 458.431 g/mol
Sample ID 44623
Solvent TFA-D