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BENZYLSULFONYL-D-ARGININYL-PROLINE_TRIFLUOROACETATE
SpectraBase Compound ID AWxm9gtdWiJ
InChI InChI=1S/C20H26F3N5O7S/c21-20(22,23)18(32)35-26-19(24)25-10-4-8-14(16(29)28-11-5-9-15(28)17(30)31)27-36(33,34)12-13-6-2-1-3-7-13/h1-3,6-7,14-15,27H,4-5,8-12H2,(H,30,31)(H3,24,25,26)
InChIKey NMLIHQWGRWHIQD-UHFFFAOYSA-N
Mol Weight 537.51 g/mol
Molecular Formula C20H26F3N5O7S
Exact Mass 537.150504 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqlWFXrBEom
Name BENZYLSULFONYL-D-ARGININYL-PROLINE_TRIFLUOROACETATE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26F3N5O7S
InChI InChI=1S/C20H26F3N5O7S/c21-20(22,23)18(32)35-26-19(24)25-10-4-8-14(16(29)28-11-5-9-15(28)17(30)31)27-36(33,34)12-13-6-2-1-3-7-13/h1-3,6-7,14-15,27H,4-5,8-12H2,(H,30,31)(H3,24,25,26)
InChIKey NMLIHQWGRWHIQD-UHFFFAOYSA-N
Literature Reference Author M.T.SISAY,T.STEINMETZER,M.STIRNBERG,E.MAURER,M.HAMMAMI,J.BAJ ORATH,M.GUETSCHOW
Literature Reference Citation J.MED.CHEM.,53,5523(2010)
Literature Reference DOI 10.1021/jm100183e
Molecular Weight 537.511 g/mol
Solvent DMSO-D6
Source File Reference UWMZ47420