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N-4-TOLUENESULFONYLUREIDO-N-2-NITROBENZYL-L-ALANINE-HYDROXAMATE

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N-4-TOLUENESULFONYLUREIDO-N-2-NITROBENZYL-L-ALANINE-HYDROXAMATE
SpectraBase Compound ID 5imgU1tSFgs
InChI InChI=1S/C18H20N4O7S/c1-12-7-9-15(10-8-12)30(28,29)20-18(24)21(13(2)17(23)19-25)11-14-5-3-4-6-16(14)22(26)27/h3-10,13,25H,11H2,1-2H3,(H,19,23)(H,20,24)
InChIKey VAUNMPCWUSQTEF-UHFFFAOYSA-N
Mol Weight 436.44 g/mol
Molecular Formula C18H20N4O7S
Exact Mass 436.10527 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7WJpokzxib9
Name N-4-TOLUENESULFONYLUREIDO-N-2-NITROBENZYL-L-ALANINE-HYDROXAMATE
Compound Number D-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H19N4O7S
InChI InChI=1S/C18H20N4O7S/c1-12-7-9-15(10-8-12)30(28,29)20-18(24)21(13(2)17(23)19-25)11-14-5-3-4-6-16(14)22(26)27/h3-10,13,25H,11H2,1-2H3,(H,19,23)(H,20,24)
InChIKey VAUNMPCWUSQTEF-UHFFFAOYSA-N
Literature Reference Author B.W.CLARE,A.SCOZZAFAVA,C.T.SUPURAN
Literature Reference Citation J.MED.CHEM.,44,2253(2001)
Literature Reference DOI 10.1021/jm010087e
Molecular Weight 435.431 g/mol
Sample ID 44603
Solvent DMSO-D6