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

View entire compound with spectra: 2 NMR

BIOT-3-(4)-1;6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-HEXANOIC-ACID-[3-[BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-CARBAMOYL]-BUTYL]-AMIDE
SpectraBase Compound ID Hr6XwmRTmsS
InChI InChI=1S/C43H52N4O3P2S/c48-40(26-14-13-25-39-42-38(33-53-39)45-43(50)46-42)44-28-16-15-27-41(49)47(29-31-51(34-17-5-1-6-18-34)35-19-7-2-8-20-35)30-32-52(36-21-9-3-10-22-36)37-23-11-4-12-24-37/h1-12,17-24,38-39,42H,13-16,25-33H2,(H,44,48)(H2,45,46,50)/t38-,39-,42-/m0/s1
InChIKey SUTBYNULQBAASR-QVJBFNAFSA-N
Mol Weight 766.9 g/mol
Molecular Formula C43H52N4O3P2S
Exact Mass 766.323537 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L8AERLCMWJ3
Name BIOT-3-(4)-1;6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-HEXANOIC-ACID-[3-[BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-CARBAMOYL]-BUTYL]-AMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H52N4O3P2S
InChI InChI=1S/C43H52N4O3P2S/c48-40(26-14-13-25-39-42-38(33-53-39)45-43(50)46-42)44-28-16-15-27-41(49)47(29-31-51(34-17-5-1-6-18-34)35-19-7-2-8-20-35)30-32-52(36-21-9-3-10-22-36)37-23-11-4-12-24-37/h1-12,17-24,38-39,42H,13-16,25-33H2,(H,44,48)(H2,45,46,50)/t38-,39-,42-/m0/s1
InChIKey SUTBYNULQBAASR-QVJBFNAFSA-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 766.918 g/mol
Solvent CDCl3
Source File Reference UWVN32487