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(2S)-2-[[4-[2-(2-Amino-1-methyl-4-oxo-4,7-dihydro-1H-pyrrolo-[2,3-D]-pyrimidin-5-yl)-ethyl]-benzoyl]-amino]-pentanedioic-acid-diethylester

View entire compound with spectra: 2 NMR

(2S)-2-[[4-[2-(2-Amino-1-methyl-4-oxo-4,7-dihydro-1H-pyrrolo-[2,3-D]-pyrimidin-5-yl)-ethyl]-benzoyl]-amino]-pentanedioic-acid-diethylester
SpectraBase Compound ID 5vcTa1kcmDc
InChI InChI=1S/C25H31N5O6/c1-4-35-19(31)13-12-18(24(34)36-5-2)28-22(32)16-9-6-15(7-10-16)8-11-17-14-27-21-20(17)23(33)29-25(26)30(21)3/h6-7,9-10,14,18,27H,4-5,8,11-13H2,1-3H3,(H,28,32)(H2,26,29,33)/t18-/m0/s1
InChIKey JEPWFNMAGSSHNJ-SFHVURJKSA-N
Mol Weight 497.55 g/mol
Molecular Formula C25H31N5O6
Exact Mass 497.227434 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IUfb5SwJjFs
Name (2S)-2-[[4-[2-(2-AMINO-1-METHYL-4-OXO-4,7-DIHYDRO-1H-PYRROLO-[2,3-D]-PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]-AMINO]-PENTANEDIOIC-ACID-DIETHYLESTER
Compound Number 13
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H31N5O6
InChI InChI=1S/C25H31N5O6/c1-4-35-19(31)13-12-18(24(34)36-5-2)28-22(32)16-9-6-15(7-10-16)8-11-17-14-27-21-20(17)23(33)29-25(26)30(21)3/h6-7,9-10,14,18,27H,4-5,8,11-13H2,1-3H3,(H,28,32)(H2,26,29,33)/t18-/m0/s1
InChIKey JEPWFNMAGSSHNJ-SFHVURJKSA-N
Literature Reference Author O.MICHALAK,M.M.GRUZA,A.WITKOWSKA,I.BUJAK,P.CMOCH
Literature Reference Citation MOLECULES,20,10004(2015)
Literature Reference DOI 10.3390/molecules200610004
Solvent DMSO-D6
Source File Reference UWPA3190