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N-(4-<5-(2,4-Diamino-6<1H>-pyrimidon-5-yl)-pent-1-dihydroxyboro-2-yl>-benzoyl)-L-glutamic acid, dimethyl ester
SpectraBase Compound ID 1TqO1M7uMNH
InChI InChI=1S/C23H32BN5O8/c1-36-18(30)11-10-17(22(33)37-2)27-20(31)14-8-6-13(7-9-14)15(12-24(34)35)4-3-5-16-19(25)28-23(26)29-21(16)32/h6-9,15,17,34-35H,3-5,10-12H2,1-2H3,(H,27,31)(H5,25,26,28,29,32)
InChIKey HAKWFNIMRJQGFP-UHFFFAOYSA-N
Mol Weight 517.3 g/mol
Molecular Formula C23H32BN5O8
Exact Mass 517.234393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HEVLDJHVhOa
Name N-(4-<5-(2,4-Diamino-6<1H>-pyrimidon-5-yl)-pent-1-dihydroxyboro-2-yl>-benzoyl)-L-glutamic acid, dimethyl ester
Comments 75 MHz spectrum
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C23H32BN5O8
InChI InChI=1S/C23H32BN5O8/c1-36-18(30)11-10-17(22(33)37-2)27-20(31)14-8-6-13(7-9-14)15(12-24(34)35)4-3-5-16-19(25)28-23(26)29-21(16)32/h6-9,15,17,34-35H,3-5,10-12H2,1-2H3,(H,27,31)(H5,25,26,28,29,32)
InChIKey HAKWFNIMRJQGFP-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