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ETHYL_5-[((3-(N-ACETYL)-AMINO)-3-(BISETHOXYCARBONYL)-PROPYL)-(ETHOXY)-PHOSPHINYL]-PENTANOATE
SpectraBase Compound ID 2xL4TNsIthz
InChI InChI=1S/C20H36NO9P/c1-6-27-17(23)12-10-11-14-31(26,30-9-4)15-13-20(21-16(5)22,18(24)28-7-2)19(25)29-8-3/h6-15H2,1-5H3,(H,21,22)
InChIKey SHMGRNXNYCDUCX-UHFFFAOYSA-N
Mol Weight 465.5 g/mol
Molecular Formula C20H36NO9P
Exact Mass 465.212769 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2rhkyUudPsO
Name ETHYL_5-[((3-(N-ACETYL)-AMINO)-3-(BISETHOXYCARBONYL)-PROPYL)-(ETHOXY)-PHOSPHINYL]-PENTANOATE
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H36NO9P
InChI InChI=1S/C20H36NO9P/c1-6-27-17(23)12-10-11-14-31(26,30-9-4)15-13-20(21-16(5)22,18(24)28-7-2)19(25)29-8-3/h6-15H2,1-5H3,(H,21,22)
InChIKey SHMGRNXNYCDUCX-UHFFFAOYSA-N
Literature Reference Author C.SELVAM,N.OUESLATI,I.A.LEMASSON,I.BRABER,D.RIGAULT,T.COURTI OL,S.CESARINI,N.TRIB
Literature Reference Citation J.MED.CHEM.,53,2797(2010)
Literature Reference DOI 10.1021/jm901523t
Solvent D2O
Source File Reference UWMZ46439