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4-GUANIDINOPHENYL-N-(BENZYLOXYCARBONYL)-(ALPHA-METHYL)-D-PHENYLALANINATE-TRIFLUOROACETATE
SpectraBase Compound ID 4LkBnNhIdD5
InChI InChI=1S/C25H26N4O4.C2HF3O2/c1-25(16-18-8-4-2-5-9-18,29-24(31)32-17-19-10-6-3-7-11-19)22(30)33-21-14-12-20(13-15-21)28-23(26)27;3-2(4,5)1(6)7/h2-15H,16-17H2,1H3,(H,29,31)(H4,26,27,28);(H,6,7)
InChIKey ZMPROKMHDGEDGN-UHFFFAOYSA-N
Mol Weight 560.53 g/mol
Molecular Formula C27H27F3N4O6
Exact Mass 560.188269 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GO35kF4vclh
Name 4-GUANIDINOPHENYL-N-(BENZYLOXYCARBONYL)-(ALPHA-METHYL)-L-PHENYLALANINATE-TRIFLUOROACETATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H27F3N4O6
InChI InChI=1S/C25H26N4O4.C2HF3O2/c1-25(16-18-8-4-2-5-9-18,29-24(31)32-17-19-10-6-3-7-11-19)22(30)33-21-14-12-20(13-15-21)28-23(26)27;3-2(4,5)1(6)7/h2-15H,16-17H2,1H3,(H,29,31)(H4,26,27,28);(H,6,7)
InChIKey ZMPROKMHDGEDGN-UHFFFAOYSA-N
Literature Reference Author S.THUST,B.KOKSCH
Literature Reference Citation J.ORG.CHEM.,68,2290(2003)
Literature Reference DOI 10.1021/jo020613p
Molecular Weight 560.530 g/mol
Solvent DMSO
Source File Reference UWVN25182