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3-[5'-O-(ASPARTYLPROLYLVALYL)-2'-DEOXY-BETA-D-RIBOFURANOSYL]-6-(PARA-PENTYLPHENYL)-2,3-DIHYDROFURO-[2.3-D]-PYRIMIDIN-2-ONE

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3-[5'-O-(ASPARTYLPROLYLVALYL)-2'-DEOXY-BETA-D-RIBOFURANOSYL]-6-(PARA-PENTYLPHENYL)-2,3-DIHYDROFURO-[2.3-D]-PYRIMIDIN-2-ONE
SpectraBase Compound ID 4SwG9Zo9gkp
InChI InChI=1S/C36H47N5O10/c1-4-5-6-8-21-10-12-22(13-11-21)27-15-23-18-41(36(48)39-33(23)51-27)29-17-26(42)28(50-29)19-49-35(47)31(20(2)3)38-32(45)25-9-7-14-40(25)34(46)24(37)16-30(43)44/h10-13,15,18,20,24-26,28-29,31,42H,4-9,14,16-17,19,37H2,1-3H3,(H,38,45)(H,43,44)
InChIKey QINBMCWQZZZVLA-UHFFFAOYSA-N
Mol Weight 709.8 g/mol
Molecular Formula C36H47N5O10
Exact Mass 709.332293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FyRwQKOeFgA
Name 3-[5'-O-(ASPARTYLPROLYLVALYL)-2'-DEOXY-BETA-D-RIBOFURANOSYL]-6-(PARA-PENTYLPHENYL)-2,3-DIHYDROFURO-[2.3-D]-PYRIMIDIN-2-ONE
Compound Number 46
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H47N5O10
InChI InChI=1S/C36H47N5O10/c1-4-5-6-8-21-10-12-22(13-11-21)27-15-23-18-41(36(48)39-33(23)51-27)29-17-26(42)28(50-29)19-49-35(47)31(20(2)3)38-32(45)25-9-7-14-40(25)34(46)24(37)16-30(43)44/h10-13,15,18,20,24-26,28-29,31,42H,4-9,14,16-17,19,37H2,1-3H3,(H,38,45)(H,43,44)
InChIKey QINBMCWQZZZVLA-UHFFFAOYSA-N
Literature Reference Author A.DIEZ-TORRUBIA,J.BALZARINI,G.ANDREI,R.SNOECK,I.DEMEESTER,M. J.CAMARASA,S.VELAZQU
Literature Reference Citation J.MED.CHEM.,54,1927(2011)
Literature Reference DOI 10.1021/jm101624e
Molecular Weight 709.797 g/mol
Solvent DMSO-D6
Source File Reference UWMZ48198