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BIOT-4-(ORTHO)-1;N,N-BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-2-[6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOYLAMINO]-BENZAMIDE

Compound with spectra: 2 NMR

BIOT-4-(ORTHO)-1;N,N-BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-2-[6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOYLAMINO]-BENZAMIDE
SpectraBase Compound ID JGXnqyVMOaJ
InChI InChI=1S/C45H48N4O3P2S/c50-42(28-16-15-27-41-43-40(33-55-41)47-45(52)48-43)46-39-26-14-13-25-38(39)44(51)49(29-31-53(34-17-5-1-6-18-34)35-19-7-2-8-20-35)30-32-54(36-21-9-3-10-22-36)37-23-11-4-12-24-37/h1-14,17-26,40-41,43H,15-16,27-33H2,(H,46,50)(H2,47,48,52)/t40-,41-,43-/m0/s1
InChIKey SUHDVLFERPUIDU-HMWSTLFVSA-N
Mol Weight 786.9 g/mol
Molecular Formula C45H48N4O3P2S
Exact Mass 786.292237 g/mol
Enantiomer InChIKey SUHDVLFERPUIDU-QAXYZVJJSA-N

View Spectrum of BIOT-4-(ORTHO)-1;N,N-BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-2-[6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOYLAMINO]-BENZAMIDE

31P NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3

View Spectrum of BIOT-4-(ORTHO)-1;N,N-BIS-(2-DIPHENYLPHOSPHANYL-ETHYL)-2-[6-(2-OXO-HEXAHYDROTHIENO-[3,4-D]-IMIDAZOL-6-YL)-HEXANOYLAMINO]-BENZAMIDE

13C NMR Spectrum
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
benzamide, N-[2-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-3-[(4-methyl-1-piperidinyl)sulfonyl]-
CYCLO-ANTHRANOYL-PROLYL
benzamide, N-[2-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-3-(4-morpholinylsulfonyl)-
benzamide, N-[2-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-
benzamide, N-[2-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-3-(1-piperidinylsulfonyl)-
benzamide, 3-[(4-methyl-1-piperidinyl)sulfonyl]-N-[2-(1-pyrrolidinylcarbonyl)phenyl]-
benzamide, 3-(4-morpholinylsulfonyl)-N-[2-(1-piperidinylcarbonyl)phenyl]-
benzamide, N-[2-[(hexahydro-1H-azepin-1-yl)carbonyl]phenyl]-3-(1-pyrrolidinylsulfonyl)-
benzamide, N-[2-[(4-methyl-1-piperidinyl)carbonyl]phenyl]-3-(1-piperidinylsulfonyl)-
benzamide, 3-[(hexahydro-1H-azepin-1-yl)sulfonyl]-N-[2-(1-piperidinylcarbonyl)phenyl]-
Title Journal or Book Year
Artificial Metalloenzymes:  (Strept)avidin as Host for Enantioselective Hydrogenation by Achiral Biotinylated Rhodium−Diphosphine Complexes Journal of the American Chemical Society 2004
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