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BIOT-2;5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOIC-ACID-[3-DIPHENYLPHOSPHANYL-2-[(DIPHENYLPHOSPHANYL)-METHYL]-2-METHYL-PROPYL]-AMIDE

View entire compound with spectra: 2 NMR

BIOT-2;5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOIC-ACID-[3-DIPHENYLPHOSPHANYL-2-[(DIPHENYLPHOSPHANYL)-METHYL]-2-METHYL-PROPYL]-AMIDE
SpectraBase Compound ID F37aIffJAoP
InChI InChI=1S/C39H45N3O2P2S/c1-39(28-45(30-16-6-2-7-17-30)31-18-8-3-9-19-31,29-46(32-20-10-4-11-21-32)33-22-12-5-13-23-33)27-40-36(43)25-15-14-24-35-37-34(26-47-35)41-38(44)42-37/h2-13,16-23,34-35,37H,14-15,24-29H2,1H3,(H,40,43)(H2,41,42,44)/t34-,35-,37-/m0/s1
InChIKey RIVBCESLCBMVTG-IWQNTTPNSA-N
Mol Weight 681.8 g/mol
Molecular Formula C39H45N3O2P2S
Exact Mass 681.270773 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Id79vi4pnaQ
Name BIOT-2;5-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-4-YL)-PENTANOIC-ACID-[3-DIPHENYLPHOSPHANYL-2-[(DIPHENYLPHOSPHANYL)-METHYL]-2-METHYL-PROPYL]-AMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H45N3O2P2S
InChI InChI=1S/C39H45N3O2P2S/c1-39(28-45(30-16-6-2-7-17-30)31-18-8-3-9-19-31,29-46(32-20-10-4-11-21-32)33-22-12-5-13-23-33)27-40-36(43)25-15-14-24-35-37-34(26-47-35)41-38(44)42-37/h2-13,16-23,34-35,37H,14-15,24-29H2,1H3,(H,40,43)(H2,41,42,44)/t34-,35-,37-/m0/s1
InChIKey RIVBCESLCBMVTG-IWQNTTPNSA-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 681.813 g/mol
Solvent CDCl3
Source File Reference UWVN32491