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DIMETHYL-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-GLUTAMATE
SpectraBase Compound ID FBmsB65W6Ho
InChI InChI=1S/C23H28N6O7/c1-29(11-13-10-15-18(26-20(13)32)27-23(24)28-21(15)33)14-6-4-12(5-7-14)19(31)25-16(22(34)36-3)8-9-17(30)35-2/h4-7,13,16H,8-11H2,1-3H3,(H,25,31)(H4,24,26,27,28,32,33)
InChIKey YNBVFOZWZKQWFV-UHFFFAOYSA-N
Mol Weight 500.51 g/mol
Molecular Formula C23H28N6O7
Exact Mass 500.201947 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8h02xk8UF2s
Name DIMETHYL-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-GLUTAMATE
Compound Number 17A
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28N6O7
InChI InChI=1S/C23H28N6O7/c1-29(11-13-10-15-18(26-20(13)32)27-23(24)28-21(15)33)14-6-4-12(5-7-14)19(31)25-16(22(34)36-3)8-9-17(30)35-2/h4-7,13,16H,8-11H2,1-3H3,(H,25,31)(H4,24,26,27,28,32,33)
InChIKey YNBVFOZWZKQWFV-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 500.511 g/mol
Sample ID 44619
Solvent TFA-D