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#14;(2S)-2-[[4-[2-(2-(DIMETHYLAMINO)-METHYLENEAMINO-4-OXO-4,7-DIHYDRO-1H-PYRROLO-[2,3-D]-PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]-AMINO]-PENTANEDIOIC-ACID-DIETHYL

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#14;(2S)-2-[[4-[2-(2-(DIMETHYLAMINO)-METHYLENEAMINO-4-OXO-4,7-DIHYDRO-1H-PYRROLO-[2,3-D]-PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]-AMINO]-PENTANEDIOIC-ACID-DIETHYL
SpectraBase Compound ID G9iJobz9J2y
InChI InChI=1S/C27H34N6O6/c1-5-38-21(34)14-13-20(26(37)39-6-2)30-24(35)18-10-7-17(8-11-18)9-12-19-15-28-23-22(19)25(36)32-27(31-23)29-16-33(3)4/h7-8,10-11,15-16,20H,5-6,9,12-14H2,1-4H3,(H,30,35)(H2,28,31,32,36)/b29-16-/t20-/m0/s1
InChIKey JFBXWIPFYHXIQE-WOUMRBFKSA-N
Mol Weight 538.6 g/mol
Molecular Formula C27H34N6O6
Exact Mass 538.253983 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3nyUJNpuGN9
Name #14;(2S)-2-[[4-[2-(2-(DIMETHYLAMINO)-METHYLENEAMINO-4-OXO-4,7-DIHYDRO-1H-PYRROLO-[2,3-D]-PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]-AMINO]-PENTANEDIOIC-ACID-DIETHYL
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34N6O6
InChI InChI=1S/C27H34N6O6/c1-5-38-21(34)14-13-20(26(37)39-6-2)30-24(35)18-10-7-17(8-11-18)9-12-19-15-28-23-22(19)25(36)32-27(31-23)29-16-33(3)4/h7-8,10-11,15-16,20H,5-6,9,12-14H2,1-4H3,(H,30,35)(H2,28,31,32,36)/b29-16-/t20-/m0/s1
InChIKey JFBXWIPFYHXIQE-WOUMRBFKSA-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 UWPA3196