For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

N-4-TOLUENESULFONYLUREIDO-N-2-NITROBENZYL-L-ALANINE
SpectraBase Compound ID 2b7XkK9thLZ
InChI InChI=1S/C18H19N3O7S/c1-12-7-9-15(10-8-12)29(27,28)19-18(24)20(13(2)17(22)23)11-14-5-3-4-6-16(14)21(25)26/h3-10,13H,11H2,1-2H3,(H,19,24)(H,22,23)
InChIKey KDJACZLQRYCPOD-UHFFFAOYSA-N
Mol Weight 421.42 g/mol
Molecular Formula C18H19N3O7S
Exact Mass 421.094371 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4NPGRBa3XlJ
Name N-4-TOLUENESULFONYLUREIDO-N-2-NITROBENZYL-L-ALANINE
Compound Number C-3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H19N3O7S
InChI InChI=1S/C18H19N3O7S/c1-12-7-9-15(10-8-12)29(27,28)19-18(24)20(13(2)17(22)23)11-14-5-3-4-6-16(14)21(25)26/h3-10,13H,11H2,1-2H3,(H,19,24)(H,22,23)
InChIKey KDJACZLQRYCPOD-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 421.425 g/mol
Sample ID 44602
Solvent DMSO-D6