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BIOT-3-(5)-1;6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOIC-ACID-[5-[BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-CARBAMOYL]-PENTYL]-AMIDE

View entire compound with spectra: 2 NMR

BIOT-3-(5)-1;6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOIC-ACID-[5-[BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-CARBAMOYL]-PENTYL]-AMIDE
SpectraBase Compound ID JeuT7KrDajh
InChI InChI=1S/C44H54N4O3P2S/c49-41(27-16-15-26-40-43-39(34-54-40)46-44(51)47-43)45-29-17-5-14-28-42(50)48(30-32-52(35-18-6-1-7-19-35)36-20-8-2-9-21-36)31-33-53(37-22-10-3-11-23-37)38-24-12-4-13-25-38/h1-4,6-13,18-25,39-40,43H,5,14-17,26-34H2,(H,45,49)(H2,46,47,51)/t39-,40-,43-/m0/s1
InChIKey PZAUZDMIHZPQNZ-RNMNAOLMSA-N
Mol Weight 780.9 g/mol
Molecular Formula C44H54N4O3P2S
Exact Mass 780.339187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L2BGdSj1113
Name BIOT-3-(5)-1;6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOIC-ACID-[5-[BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-CARBAMOYL]-PENTYL]-AMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H54N4O3P2S
InChI InChI=1S/C44H54N4O3P2S/c49-41(27-16-15-26-40-43-39(34-54-40)46-44(51)47-43)45-29-17-5-14-28-42(50)48(30-32-52(35-18-6-1-7-19-35)36-20-8-2-9-21-36)31-33-53(37-22-10-3-11-23-37)38-24-12-4-13-25-38/h1-4,6-13,18-25,39-40,43H,5,14-17,26-34H2,(H,45,49)(H2,46,47,51)/t39-,40-,43-/m0/s1
InChIKey PZAUZDMIHZPQNZ-RNMNAOLMSA-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 780.945 g/mol
Solvent CDCl3
Source File Reference UWVN32488