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N-4-(AMINOSULFONYL)-PHENETHYL-S-(1-THIO-BETA-LACTOSYL)-SULFONAMIDE
SpectraBase Compound ID E637DooSxXV
InChI InChI=1S/C20H32N2O14S2/c21-37(30,31)10-3-1-9(2-4-10)5-6-22-38(32,33)20-17(29)15(27)18(12(8-24)35-20)36-19-16(28)14(26)13(25)11(7-23)34-19/h1-4,11-20,22-29H,5-8H2,(H2,21,30,31)/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20+/m0/s1
InChIKey FYFKRJGCDVANBH-JZISJNAVSA-N
Mol Weight 588.6 g/mol
Molecular Formula C20H32N2O14S2
Exact Mass 588.129496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1cZXmfdlC2d
Name N-4-(AMINOSULFONYL)-PHENETHYL-S-(1-THIO-BETA-LACTOSYL)-SULFONAMIDE
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32N2O14S2
InChI InChI=1S/C20H32N2O14S2/c21-37(30,31)10-3-1-9(2-4-10)5-6-22-38(32,33)20-17(29)15(27)18(12(8-24)35-20)36-19-16(28)14(26)13(25)11(7-23)34-19/h1-4,11-20,22-29H,5-8H2,(H2,21,30,31)/t11-,12-,13-,14+,15-,16-,17-,18-,19-,20+/m0/s1
InChIKey FYFKRJGCDVANBH-JZISJNAVSA-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 588.599 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46630