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N-[3-acetylmercapto-2-benzylpropanoyl]-glycine benzyl ester
SpectraBase Compound ID HfionSzvItO
InChI InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)
InChIKey ODUOJXZPIYUATO-UHFFFAOYSA-N
Mol Weight 385.48 g/mol
Molecular Formula C21H23NO4S
Exact Mass 385.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ikOuppXzIi
Name N-[3-acetylmercapto-2-benzylpropanoyl]-glycine benzyl ester
Alternate Name(s) Racecadotril benzyl (3-(acetylthio)-2-benzylpropanoyl)glycinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO4S
InChI InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)
InChIKey ODUOJXZPIYUATO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.3639
Molecular Weight 385.478 g/mol
SMILES N(C(C(Cc1ccccc1)CSC(C)=O)=O)CC(OCc1ccccc1)=O
SPLASH splash10-0006-8940000000-3011edfccce08e52edc2
Source of Spectrum RCM-22-SM4-FigureS3
Wiley ID 1814474