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butanoic acid, 2-[[[[(2-hydroxy-4-quinolinyl)methyl](2-methoxyethyl)amino]carbonothioyl]amino]-4-(methylthio)-, methyl ester, (2S)-

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butanoic acid, 2-[[[[(2-hydroxy-4-quinolinyl)methyl](2-methoxyethyl)amino]carbonothioyl]amino]-4-(methylthio)-, methyl ester, (2S)-
SpectraBase Compound ID AL6QxRWOcUx
InChI InChI=1S/C20H27N3O4S2/c1-26-10-9-23(20(28)22-17(8-11-29-3)19(25)27-2)13-14-12-18(24)21-16-7-5-4-6-15(14)16/h4-7,12,17H,8-11,13H2,1-3H3,(H,21,24)(H,22,28)
InChIKey OCBLUHRWETXJKB-UHFFFAOYSA-N
Mol Weight 437.57 g/mol
Molecular Formula C20H27N3O4S2
Exact Mass 437.144299 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 87XjMqElaQt
Name butanoic acid, 2-[[[[(2-hydroxy-4-quinolinyl)methyl](2-methoxyethyl)amino]carbonothioyl]amino]-4-(methylthio)-, methyl ester, (2S)-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H27N3O4S2/c1-26-10-9-23(20(28)22-17(8-11-29-3)19(25)27-2)13-14-12-18(24)21-16-7-5-4-6-15(14)16/h4-7,12,17H,8-11,13H2,1-3H3,(H,21,24)(H,22,28)
InChIKey OCBLUHRWETXJKB-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9636
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: F36056; Labnumber: NNA-V-23962