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(S)-((E)-4-ETHOXY-4-OXOBUT-2-ENYL)-5-AMINO-2-((S)-2-(TERT.-BUTOXYCARBONYLAMINO)-4-METHYLPENTANAMIDO)-5-OXOPENTANOATE
SpectraBase Compound ID JKjqPfFSitc
InChI InChI=1S/C22H37N3O8/c1-7-31-18(27)9-8-12-32-20(29)15(10-11-17(23)26)24-19(28)16(13-14(2)3)25-21(30)33-22(4,5)6/h8-9,14-16H,7,10-13H2,1-6H3,(H2,23,26)(H,24,28)(H,25,30)/b9-8+/t15-,16-/m0/s1
InChIKey QVAJTPCRCBUAPM-FHQWLQQXSA-N
Mol Weight 471.6 g/mol
Molecular Formula C22H37N3O8
Exact Mass 471.258065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3CIohVqLG1
Name (S)-((E)-4-ETHOXY-4-OXOBUT-2-ENYL)-5-AMINO-2-((S)-2-(TERT.-BUTOXYCARBONYLAMINO)-4-METHYLPENTANAMIDO)-5-OXOPENTANOATE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H37N3O8
InChI InChI=1S/C22H37N3O8/c1-7-31-18(27)9-8-12-32-20(29)15(10-11-17(23)26)24-19(28)16(13-14(2)3)25-21(30)33-22(4,5)6/h8-9,14-16H,7,10-13H2,1-6H3,(H2,23,26)(H,24,28)(H,25,30)/b9-8+/t15-,16-/m0/s1
InChIKey QVAJTPCRCBUAPM-FHQWLQQXSA-N
Literature Reference Author A.BREUNING,B.DEGEL,F.SCHULZ,C.BUECHOLD,M.STEMPKA,U.MACHON,S. HEPPNER,C.GELHAUS,M.
Literature Reference Citation J.MED.CHEM.,53,1951(2010)
Literature Reference DOI 10.1021/jm900946n
Molecular Weight 471.551 g/mol
Solvent CDCl3
Source File Reference UWMZ46506