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N-TERT.-BUTOXYCARBONYL-CIS-4-(N(3)-BENZOYLURACIL-1-YL)-L-PROLINE-METHYLESTER
SpectraBase Compound ID FGRYjYFhDeL
InChI InChI=1S/2C22H25N3O7/c2*1-22(2,3)32-21(30)24-13-15(12-16(24)19(28)31-4)23-11-10-17(26)25(20(23)29)18(27)14-8-6-5-7-9-14/h2*5-11,15-16H,12-13H2,1-4H3/t2*15-,16-/m00/s1
InChIKey BROPXMZZZFZHSH-JSWJIAEGSA-N
Mol Weight 886.91 g/mol
Molecular Formula C44H50N6O14
Exact Mass 886.3385 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9VASBVBJY3Z
Name N-TERT.-BUTOXYCARBONYL-CIS-4-(N(3)-BENZOYLURACIL-1-YL)-L-PROLINE-METHYLESTER
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H50N6O14
InChI InChI=1S/2C22H25N3O7/c2*1-22(2,3)32-21(30)24-13-15(12-16(24)19(28)31-4)23-11-10-17(26)25(20(23)29)18(27)14-8-6-5-7-9-14/h2*5-11,15-16H,12-13H2,1-4H3/t2*15-,16-/m00/s1
InChIKey BROPXMZZZFZHSH-JSWJIAEGSA-N
Literature Reference Author Z.ZHANG,P.CHALTIN,A.V.AERSCHOT,J.LACEY,J.ROZENSKI,R.BUSSON,P .HERDEWIJN
Literature Reference Citation BIOORG.MED.CHEM.,10,3401(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00268-7
Molecular Weight 886.913 g/mol
Solvent CDCl3
Source File Reference UWSI24330