alanine, N-acetyl-3,3,3-trifluoro-2-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]-, ethyl ester

SpectraBase Compound ID	GD0UMAk3TTQ
InChI	InChI=1S/C16H17F3N4O5S2/c1-3-28-13(25)15(16(17,18)19,21-10(2)24)22-11-4-6-12(7-5-11)30(26,27)23-14-20-8-9-29-14/h4-9,22H,3H2,1-2H3,(H,20,23)(H,21,24)
InChIKey	LPKLGOCTNJJASZ-UHFFFAOYSA-N Google Search
Mol Weight	466.45 g/mol
Molecular Formula	C16H17F3N4O5S2
Exact Mass	466.059246 g/mol

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SpectraBase Spectrum ID	2EfrP4iRPC8
Name	alanine, N-acetyl-3,3,3-trifluoro-2-[[4-[(2-thiazolylamino)sulfonyl]phenyl]amino]-, ethyl ester
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/C16H17F3N4O5S2/c1-3-28-13(25)15(16(17,18)19,21-10(2)24)22-11-4-6-12(7-5-11)30(26,27)23-14-20-8-9-29-14/h4-9,22H,3H2,1-2H3,(H,20,23)(H,21,24)
InChIKey	LPKLGOCTNJJASZ-UHFFFAOYSA-N
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_CB_8313_1594
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: NMR/9213064; Labnumber: AU-F000426
Temperature	303 °C