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BIOT-3-(3)-1;6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOIC-ACID-[3-[BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-CARBAMOYL]-PROPYL]-AMIDE

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BIOT-3-(3)-1;6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOIC-ACID-[3-[BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-CARBAMOYL]-PROPYL]-AMIDE
SpectraBase Compound ID DpT2J16h5HQ
InChI InChI=1S/C42H50N4O3P2S/c47-39(25-14-13-24-38-41-37(32-52-38)44-42(49)45-41)43-27-15-26-40(48)46(28-30-50(33-16-5-1-6-17-33)34-18-7-2-8-19-34)29-31-51(35-20-9-3-10-21-35)36-22-11-4-12-23-36/h1-12,16-23,37-38,41H,13-15,24-32H2,(H,43,47)(H2,44,45,49)/t37-,38-,41-/m0/s1
InChIKey YNYCMXSBBSNJCW-PCXFPAGCSA-N
Mol Weight 752.9 g/mol
Molecular Formula C42H50N4O3P2S
Exact Mass 752.307887 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jserz1Ghijw
Name BIOT-3-(3)-1;6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOIC-ACID-[3-[BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-CARBAMOYL]-PROPYL]-AMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H50N4O3P2S
InChI InChI=1S/C42H50N4O3P2S/c47-39(25-14-13-24-38-41-37(32-52-38)44-42(49)45-41)43-27-15-26-40(48)46(28-30-50(33-16-5-1-6-17-33)34-18-7-2-8-19-34)29-31-51(35-20-9-3-10-21-35)36-22-11-4-12-23-36/h1-12,16-23,37-38,41H,13-15,24-32H2,(H,43,47)(H2,44,45,49)/t37-,38-,41-/m0/s1
InChIKey YNYCMXSBBSNJCW-PCXFPAGCSA-N
Literature Reference Author M.SKANDER,N.HUMBERT,J.COLLOT,J.GRADINARU,G.KLEIN,A.LOOSLI,J. SAUSER,A.ZOCCHI,F.GI
Literature Reference Citation J.AM.CHEM.SOC.,126,14411(2004)
Literature Reference DOI 10.1021/ja0476718
Solvent CDCl3
Source File Reference UWVN32486