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N-4-(AMINOSULFONYL)-BENZYL-S-(1-THIO-BETA-D-GLUCOPYRANURONOYL)-SULFONAMIDE
SpectraBase Compound ID E2z9U81lBx9
InChI InChI=1S/C13H18N2O10S2/c14-26(21,22)7-3-1-6(2-4-7)5-15-27(23,24)13-10(18)8(16)9(17)11(25-13)12(19)20/h1-4,8-11,13,15-18H,5H2,(H,19,20)(H2,14,21,22)/t8-,9-,10+,11-,13-/m1/s1
InChIKey LVTDYTBCBYJNAP-BZNQNGANSA-N
Mol Weight 426.41 g/mol
Molecular Formula C13H18N2O10S2
Exact Mass 426.040287 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3n2N0B4QRL6
Name N-4-(AMINOSULFONYL)-BENZYL-S-(1-THIO-BETA-D-GLUCOPYRANURONOYL)-SULFONAMIDE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18N2O10S2
InChI InChI=1S/C13H18N2O10S2/c14-26(21,22)7-3-1-6(2-4-7)5-15-27(23,24)13-10(18)8(16)9(17)11(25-13)12(19)20/h1-4,8-11,13,15-18H,5H2,(H,19,20)(H2,14,21,22)/t8-,9-,10+,11-,13-/m1/s1
InChIKey LVTDYTBCBYJNAP-BZNQNGANSA-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 426.413 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46617