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BENZYLSULFONYL-D-CYCLOHEXYLALANYL-PROLINE

View entire compound with spectra: 1 NMR

BENZYLSULFONYL-D-CYCLOHEXYLALANYL-PROLINE
SpectraBase Compound ID BofU7xE0mQ3
InChI InChI=1S/C21H30N2O5S/c24-20(23-13-7-12-19(23)21(25)26)18(14-16-8-3-1-4-9-16)22-29(27,28)15-17-10-5-2-6-11-17/h2,5-6,10-11,16,18-19,22H,1,3-4,7-9,12-15H2,(H,25,26)
InChIKey VXKLBGWCPHKADM-UHFFFAOYSA-N
Mol Weight 422.54 g/mol
Molecular Formula C21H30N2O5S
Exact Mass 422.187543 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7KuKh2wfm2H
Name BENZYLSULFONYL-D-CYCLOHEXYLALANYL-PROLINE
Compound Number 1 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H30N2O5S
InChI InChI=1S/C21H30N2O5S/c24-20(23-13-7-12-19(23)21(25)26)18(14-16-8-3-1-4-9-16)22-29(27,28)15-17-10-5-2-6-11-17/h2,5-6,10-11,16,18-19,22H,1,3-4,7-9,12-15H2,(H,25,26)
InChIKey VXKLBGWCPHKADM-UHFFFAOYSA-N
Literature Reference Author M.T.SISAY,T.STEINMETZER,M.STIRNBERG,E.MAURER,M.HAMMAMI,J.BAJ ORATH,M.GUETSCHOW
Literature Reference Citation J.MED.CHEM.,53,5523(2010)
Literature Reference DOI 10.1021/jm100183e
Molecular Weight 422.540 g/mol
Solvent CDCl3
Source File Reference UWMZ47424