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BIOT-4-(META)-2;N-[3-DIPHENYLPHOSPHANYL-2-[(DIPHENYLPHOSPHANYL)-METHYL]-2-METHYL-PROPYL]-3-[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOYLAMI
SpectraBase Compound ID 2uI733N526H
InChI InChI=1S/C46H50N4O3P2S/c1-46(32-54(36-19-6-2-7-20-36)37-21-8-3-9-22-37,33-55(38-23-10-4-11-24-38)39-25-12-5-13-26-39)31-47-44(52)34-17-16-18-35(29-34)48-42(51)28-15-14-27-41-43-40(30-56-41)49-45(53)50-43/h2-13,16-26,29,40-41,43H,14-15,27-28,30-33H2,1H3,(H,47,52)(H,48,51)(H2,49,50,53)/t40-,41-,43-/m0/s1
InChIKey YZMIJTDLMMOTJC-HMWSTLFVSA-N
Mol Weight 800.9 g/mol
Molecular Formula C46H50N4O3P2S
Exact Mass 800.307887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Sexy5BZb2g
Name BIOT-4-(META)-2;N-[3-DIPHENYLPHOSPHANYL-2-[(DIPHENYLPHOSPHANYL)-METHYL]-2-METHYL-PROPYL]-3-[5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOYLAMI
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H50N4O3P2S
InChI InChI=1S/C46H50N4O3P2S/c1-46(32-54(36-19-6-2-7-20-36)37-21-8-3-9-22-37,33-55(38-23-10-4-11-24-38)39-25-12-5-13-26-39)31-47-44(52)34-17-16-18-35(29-34)48-42(51)28-15-14-27-41-43-40(30-56-41)49-45(53)50-43/h2-13,16-26,29,40-41,43H,14-15,27-28,30-33H2,1H3,(H,47,52)(H,48,51)(H2,49,50,53)/t40-,41-,43-/m0/s1
InChIKey YZMIJTDLMMOTJC-HMWSTLFVSA-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 800.936 g/mol
Solvent CDCl3
Source File Reference UWVN32498