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N(BETA)-BENZYLOXYCARBONYL-N(EPSILON)-METHYL-TRIFLUOROACETYL-(S)-BETA-LYSINE-TERT.-BUTYLESTER;MINOR-ISOMER
SpectraBase Compound ID DemLCx7p8Py
InChI InChI=1S/C21H29F3N2O5/c1-20(2,3)31-17(27)13-16(11-8-12-26(4)18(28)21(22,23)24)25-19(29)30-14-15-9-6-5-7-10-15/h5-7,9-10,16H,8,11-14H2,1-4H3,(H,25,29)/t16-/m0/s1
InChIKey OENFXGMJQKPABH-INIZCTEOSA-N
Mol Weight 446.47 g/mol
Molecular Formula C21H29F3N2O5
Exact Mass 446.202857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9psXbK1T7Mo
Name N(BETA)-BENZYLOXYCARBONYL-N(EPSILON)-METHYL-TRIFLUOROACETYL-(S)-BETA-LYSINE-TERT.-BUTYLESTER;MINOR-ISOMER
Compound Number 10- ME
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29F3N2O5
InChI InChI=1S/C21H29F3N2O5/c1-20(2,3)31-17(27)13-16(11-8-12-26(4)18(28)21(22,23)24)25-19(29)30-14-15-9-6-5-7-10-15/h5-7,9-10,16H,8,11-14H2,1-4H3,(H,25,29)/t16-/m0/s1
InChIKey OENFXGMJQKPABH-INIZCTEOSA-N
Literature Reference Author M.BRANDS,R.ENDERMANN,R.GAHLMANN,J.KRUEGER,S.RADDATZ,J.STOLTE FU,V.N.BELOV,S.NIZAM
Literature Reference Citation J.MED.CHEM.,45,4246(2002)
Literature Reference DOI 10.1021/jm0111191
Molecular Weight 446.467 g/mol
Sample ID 65089
Solvent CDCl3