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N-4-(AMINOSULFONYL)-PHENETHYL-S-(1-THIO-BETA-D-GLUCOPYRANURONOYL)-SULFONAMIDE
SpectraBase Compound ID 41eiNww8Wk6
InChI InChI=1S/C14H20N2O10S2/c15-27(22,23)8-3-1-7(2-4-8)5-6-16-28(24,25)14-11(19)9(17)10(18)12(26-14)13(20)21/h1-4,9-12,14,16-19H,5-6H2,(H,20,21)(H2,15,22,23)/t9-,10-,11+,12-,14-/m1/s1
InChIKey GPYWALIXQNQCGC-YGEZULPYSA-N
Mol Weight 440.44 g/mol
Molecular Formula C14H20N2O10S2
Exact Mass 440.055937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JOuAa2B0ELM
Name N-4-(AMINOSULFONYL)-PHENETHYL-S-(1-THIO-BETA-D-GLUCOPYRANURONOYL)-SULFONAMIDE
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H20N2O10S2
InChI InChI=1S/C14H20N2O10S2/c15-27(22,23)8-3-1-7(2-4-8)5-6-16-28(24,25)14-11(19)9(17)10(18)12(26-14)13(20)21/h1-4,9-12,14,16-19H,5-6H2,(H,20,21)(H2,15,22,23)/t9-,10-,11+,12-,14-/m1/s1
InChIKey GPYWALIXQNQCGC-YGEZULPYSA-N
Literature Reference Author M.LOPEZ,L.F.BORNAGHI,A.INNOCENTI,D.VULLO,S.A.CHARMAN,C.T.SUP URAN,S.A.POULSEN
Literature Reference Citation J.MED.CHEM.,53,2913(2010)
Literature Reference DOI 10.1021/jm901888x
Molecular Weight 440.440 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46618