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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)-N-METHYLAMINO]-BENZOYL]-L-GLUTAMIC-ACID

View entire compound with spectra: 1 NMR

N-[4-[N-(2-AMINO-4,7-DIOXO-3,4,5,6,7,8-HEXAHYDROPYRIDO-[2,3-D]-PYRIMIDIN-6-YLMETHYL)-N-METHYLAMINO]-BENZOYL]-L-GLUTAMIC-ACID
SpectraBase Compound ID 9j0nxZfuQPc
InChI InChI=1S/C21H24N6O7/c1-27(9-11-8-13-16(24-18(11)31)25-21(22)26-19(13)32)12-4-2-10(3-5-12)17(30)23-14(20(33)34)6-7-15(28)29/h2-5,11,14H,6-9H2,1H3,(H,23,30)(H,28,29)(H,33,34)(H4,22,24,25,26,31,32)
InChIKey UCYVCUXSVUVUKI-UHFFFAOYSA-N
Mol Weight 472.46 g/mol
Molecular Formula C21H24N6O7
Exact Mass 472.170647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BeX5LY1o1lR
Name N-[4-[N-(2-AMINO-4,7-DIOXO-3,4,5,6,7,8-HEXAHYDROPYRIDO-[2,3-D]-PYRIMIDIN-6-YLMETHYL)-N-METHYLAMINO]-BENZOYL]-L-GLUTAMIC-ACID
Compound Number 18A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24N6O7
InChI InChI=1S/C21H24N6O7/c1-27(9-11-8-13-16(24-18(11)31)25-21(22)26-19(13)32)12-4-2-10(3-5-12)17(30)23-14(20(33)34)6-7-15(28)29/h2-5,11,14H,6-9H2,1H3,(H,23,30)(H,28,29)(H,33,34)(H4,22,24,25,26,31,32)
InChIKey UCYVCUXSVUVUKI-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 472.458 g/mol
Sample ID 44622
Solvent TFA-D