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N-(N-Hippuryl-thio-glycyl)-3-phenyl-L-alanyl methyl ester

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N-(N-Hippuryl-thio-glycyl)-3-phenyl-L-alanyl methyl ester
SpectraBase Compound ID G3U0wqX0kUg
InChI InChI=1S/C21H23N3O4S/c1-28-21(27)17(12-15-8-4-2-5-9-15)24-19(29)14-22-18(25)13-23-20(26)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,22,25)(H,23,26)(H,24,29)
InChIKey QCOCLWLJSMWILA-UHFFFAOYSA-N
Mol Weight 413.49 g/mol
Molecular Formula C21H23N3O4S
Exact Mass 413.140927 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EE2X0XJ4RgD
Name N-(N-Hippuryl-thio-glycyl)-3-phenyl-L-alanyl methyl ester
CAS Registry Number 82544-28-3
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H23N3O4S
InChI InChI=1S/C21H23N3O4S/c1-28-21(27)17(12-15-8-4-2-5-9-15)24-19(29)14-22-18(25)13-23-20(26)16-10-6-3-7-11-16/h2-11,17H,12-14H2,1H3,(H,22,25)(H,23,26)(H,24,29)
InChIKey QCOCLWLJSMWILA-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference P. Cambell, N.T. Nashed, J. Am. Chem. Soc. 104, 5221 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3