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

View entire compound with spectra: 2 NMR

BIOT-3-(2)-1;6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOIC-ACID-[2-[BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-CARBAMOYL]-ETHYL]-AMIDE
SpectraBase Compound ID Er5nfB0oFXz
InChI InChI=1S/C41H48N4O3P2S/c46-38(24-14-13-23-37-40-36(31-51-37)43-41(48)44-40)42-26-25-39(47)45(27-29-49(32-15-5-1-6-16-32)33-17-7-2-8-18-33)28-30-50(34-19-9-3-10-20-34)35-21-11-4-12-22-35/h1-12,15-22,36-37,40H,13-14,23-31H2,(H,42,46)(H2,43,44,48)/t36-,37-,40-/m0/s1
InChIKey HAKIQCNGYCGBGE-HKGQQODZSA-N
Mol Weight 738.9 g/mol
Molecular Formula C41H48N4O3P2S
Exact Mass 738.292237 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 91oMHS3neFg
Name BIOT-3-(2)-1;6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOIC-ACID-[2-[BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-CARBAMOYL]-ETHYL]-AMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H48N4O3P2S
InChI InChI=1S/C41H48N4O3P2S/c46-38(24-14-13-23-37-40-36(31-51-37)43-41(48)44-40)42-26-25-39(47)45(27-29-49(32-15-5-1-6-16-32)33-17-7-2-8-18-33)28-30-50(34-19-9-3-10-20-34)35-21-11-4-12-22-35/h1-12,15-22,36-37,40H,13-14,23-31H2,(H,42,46)(H2,43,44,48)/t36-,37-,40-/m0/s1
InChIKey HAKIQCNGYCGBGE-HKGQQODZSA-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
Molecular Weight 738.865 g/mol
Solvent CDCl3
Source File Reference UWVN32485