N-[3-(BENZYLTHIO)-N-CARBOXY-L-ALANYL]GLYCINE, N-BENZYL ETHYL ESTER

SpectraBase Compound ID	J7HYleT2KU
InChI	InChI=1S/C22H26N2O5S/c1-2-28-20(25)13-23-21(26)19(16-30-15-18-11-7-4-8-12-18)24-22(27)29-14-17-9-5-3-6-10-17/h3-12,19H,2,13-16H2,1H3,(H,23,26)(H,24,27)
InChIKey	LUMMBUACNDKBJC-UHFFFAOYSA-N Google Search
Mol Weight	430.52 g/mol
Molecular Formula	C22H26N2O5S
Exact Mass	430.156243 g/mol

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SpectraBase Spectrum ID	BYqPpWywZoz
Name	N-Benzyloxycarbonyl-S-benzyl-cysteyl-glycine ethyl ester
CAS Registry Number	3695-79-2
Comments	SHIFTCORRECTION: -1.80 PPM (A.H.)
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C22H26N2O5S
InChI	InChI=1S/C22H26N2O5S/c1-2-28-20(25)13-23-21(26)19(16-30-15-18-11-7-4-8-12-18)24-22(27)29-14-17-9-5-3-6-10-17/h3-12,19H,2,13-16H2,1H3,(H,23,26)(H,24,27)
InChIKey	LUMMBUACNDKBJC-UHFFFAOYSA-N
Instrument Name	Bruker HX-90
Literature Reference	W. Voelter, G. Jung, E. Breitmaier, Z. Naturforsch. B26, 213 (1971).
NMR Standard	TMS Ext.
Origin	Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent	DMSO-D6