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(S)-4-AMINO-2-((S)-2-(TERT.-BUTOXYCARBONYLAMINO)-2-PHENYLACETAMIDO)-4-OXOBUTYL_ETHYL_FUMARATE

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(S)-4-AMINO-2-((S)-2-(TERT.-BUTOXYCARBONYLAMINO)-2-PHENYLACETAMIDO)-4-OXOBUTYL_ETHYL_FUMARATE
SpectraBase Compound ID 5j3c2fexJiD
InChI InChI=1S/C23H31N3O8/c1-5-32-18(28)11-12-19(29)33-14-16(13-17(24)27)25-21(30)20(15-9-7-6-8-10-15)26-22(31)34-23(2,3)4/h6-12,16,20H,5,13-14H2,1-4H3,(H2,24,27)(H,25,30)(H,26,31)/b12-11+/t16-,20-/m0/s1
InChIKey QGWLGKJBEKUABG-XUBBYMEQSA-N
Mol Weight 477.51 g/mol
Molecular Formula C23H31N3O8
Exact Mass 477.211115 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CaHSJjz8Fuk
Name (S)-4-AMINO-2-((S)-2-(TERT.-BUTOXYCARBONYLAMINO)-2-PHENYLACETAMIDO)-4-OXOBUTYL_ETHYL_FUMARATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H31N3O8
InChI InChI=1S/C23H31N3O8/c1-5-32-18(28)11-12-19(29)33-14-16(13-17(24)27)25-21(30)20(15-9-7-6-8-10-15)26-22(31)34-23(2,3)4/h6-12,16,20H,5,13-14H2,1-4H3,(H2,24,27)(H,25,30)(H,26,31)/b12-11+/t16-,20-/m0/s1
InChIKey QGWLGKJBEKUABG-XUBBYMEQSA-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 477.514 g/mol
Solvent CDCl3
Source File Reference UWMZ46486