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N-(4-<5-(2,4-Diamino-6<1H>-pyrimidinon-5-yl)-pent-1-hydroxy-2-yl>-benzoyl)-L-glutamic acid, dimethyl ester
SpectraBase Compound ID Ahhjjc8Cu14
InChI InChI=1S/C23H31N5O7/c1-34-18(30)11-10-17(22(33)35-2)26-20(31)14-8-6-13(7-9-14)15(12-29)4-3-5-16-19(24)27-23(25)28-21(16)32/h6-9,15,17,29H,3-5,10-12H2,1-2H3,(H,26,31)(H5,24,25,27,28,32)
InChIKey HJIUKWPZYHNDME-UHFFFAOYSA-N
Mol Weight 489.53 g/mol
Molecular Formula C23H31N5O7
Exact Mass 489.222348 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jtWwA2A1Wp
Name N-(4-<5-(2,4-Diamino-6<1H>-pyrimidinon-5-yl)-pent-1-hydroxy-2-yl>-benzoyl)-L-glutamic acid, dimethyl ester
Comments 75 MHz spectrum
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Formula C23H31N5O7
InChI InChI=1S/C23H31N5O7/c1-34-18(30)11-10-17(22(33)35-2)26-20(31)14-8-6-13(7-9-14)15(12-29)4-3-5-16-19(24)27-23(25)28-21(16)32/h6-9,15,17,29H,3-5,10-12H2,1-2H3,(H,26,31)(H5,24,25,27,28,32)
InChIKey HJIUKWPZYHNDME-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference E.C. Taylor, T.H. Schrader, L.D. Walensky, Tetrahedron 48, 19 (1992).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD3OD