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(S)-((E)-4-ETHOXY-4-OXOBUT-2-ENYL)-5-AMINO-2-((S)-2-(TERT.-BUTOXYCARBONYLAMINO)-2-CYCLOHEXYLACETAMIDO)-5-OXOPENTANOATE
SpectraBase Compound ID I7lMOQqG9NB
InChI InChI=1S/C24H39N3O8/c1-5-33-19(29)12-9-15-34-22(31)17(13-14-18(25)28)26-21(30)20(16-10-7-6-8-11-16)27-23(32)35-24(2,3)4/h9,12,16-17,20H,5-8,10-11,13-15H2,1-4H3,(H2,25,28)(H,26,30)(H,27,32)/b12-9+/t17-,20-/m0/s1
InChIKey GUCVHJXCFRZCCW-PISIYBLASA-N
Mol Weight 497.6 g/mol
Molecular Formula C24H39N3O8
Exact Mass 497.273715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5yZ1XBScLHu
Name (S)-((E)-4-ETHOXY-4-OXOBUT-2-ENYL)-5-AMINO-2-((S)-2-(TERT.-BUTOXYCARBONYLAMINO)-2-CYCLOHEXYLACETAMIDO)-5-OXOPENTANOATE
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H39N3O8
InChI InChI=1S/C24H39N3O8/c1-5-33-19(29)12-9-15-34-22(31)17(13-14-18(25)28)26-21(30)20(16-10-7-6-8-11-16)27-23(32)35-24(2,3)4/h9,12,16-17,20H,5-8,10-11,13-15H2,1-4H3,(H2,25,28)(H,26,30)(H,27,32)/b12-9+/t17-,20-/m0/s1
InChIKey GUCVHJXCFRZCCW-PISIYBLASA-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 497.589 g/mol
Solvent CDCl3
Source File Reference UWMZ46508