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METHYL-(2R,2'S)-2-AZIDO-3-[3-(1-BENZYL-1H-IMIDAZOL-4-YL)-2-(TERT.-BUTOXYCARBONYLAMINO)-PROPANOYLTHIO]-PROPIONATE
SpectraBase Compound ID IyRwNJ17A6O
InChI InChI=1S/C22H28N6O5S/c1-22(2,3)33-21(31)25-17(20(30)34-13-18(26-27-23)19(29)32-4)10-16-12-28(14-24-16)11-15-8-6-5-7-9-15/h5-9,12,14,17-18H,10-11,13H2,1-4H3,(H,25,31)/t17-,18-/m0/s1
InChIKey HLERGOONDGCRRT-ROUUACIJSA-N
Mol Weight 488.56 g/mol
Molecular Formula C22H28N6O5S
Exact Mass 488.184189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1BXPFzIm9EV
Name METHYL-(2R,2'S)-2-AZIDO-3-[3-(1-BENZYL-1H-IMIDAZOL-4-YL)-2-(TERT.-BUTOXYCARBONYLAMINO)-PROPANOYLTHIO]-PROPIONATE
Compound Number 15B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28N6O5S
InChI InChI=1S/C22H28N6O5S/c1-22(2,3)33-21(31)25-17(20(30)34-13-18(26-27-23)19(29)32-4)10-16-12-28(14-24-16)11-15-8-6-5-7-9-15/h5-9,12,14,17-18H,10-11,13H2,1-4H3,(H,25,31)/t17-,18-/m0/s1
InChIKey HLERGOONDGCRRT-ROUUACIJSA-N
Literature Reference Author P.LOOS,C.RONCO,M.RIEDRICH,H.D.ARNDT
Literature Reference Citation EUR.J.ORG.CHEM.,2013,3290(2013)
Literature Reference DOI 10.1002/ejoc.201300160
Molecular Weight 488.562 g/mol
Solvent CDCl3
Source File Reference UWBT20075