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N-4-TOLUENESULFONYLUREIDO-N-2-CHLOROBENZYL-L-ALANINE

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N-4-TOLUENESULFONYLUREIDO-N-2-CHLOROBENZYL-L-ALANINE
SpectraBase Compound ID A3Op5dyMNR
InChI InChI=1S/C18H19ClN2O5S/c1-12-7-9-15(10-8-12)27(25,26)20-18(24)21(13(2)17(22)23)11-14-5-3-4-6-16(14)19/h3-10,13H,11H2,1-2H3,(H,20,24)(H,22,23)
InChIKey ZTOAVTXSEHZSQS-UHFFFAOYSA-N
Mol Weight 410.87 g/mol
Molecular Formula C18H19ClN2O5S
Exact Mass 410.070321 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CAmMKbb8Kbn
Name N-4-TOLUENESULFONYLUREIDO-N-2-CHLOROBENZYL-L-ALANINE
Compound Number C3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H19ClN2O5S
InChI InChI=1S/C18H19ClN2O5S/c1-12-7-9-15(10-8-12)27(25,26)20-18(24)21(13(2)17(22)23)11-14-5-3-4-6-16(14)19/h3-10,13H,11H2,1-2H3,(H,20,24)(H,22,23)
InChIKey ZTOAVTXSEHZSQS-UHFFFAOYSA-N
Literature Reference Author A.SCOZZAFAVA,C.T.SUPURAN
Literature Reference Citation BIOORG.MED.CHEM.,8,637(2000)
Literature Reference DOI 10.1016/S0968-0896(99)00316-8
Molecular Weight 410.872 g/mol
Solvent DMSO-D6
Source File Reference UWVN20148