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3-Benzoyl-2-(tosylamino)propanoic acid
SpectraBase Compound ID DF4nWfQLJ3R
InChI InChI=1S/C17H17NO5S/c1-12-7-9-14(10-8-12)24(22,23)18-15(17(20)21)11-16(19)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,20,21)/t15-/m0/s1
InChIKey NRZTVCQDTBZMJO-HNNXBMFYSA-N
Mol Weight 347.39 g/mol
Molecular Formula C17H17NO5S
Exact Mass 347.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMM6OT1uLdb
Name 3-Benzoyl-2-(tosylamino)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NO5S
InChI InChI=1S/C17H17NO5S/c1-12-7-9-14(10-8-12)24(22,23)18-15(17(20)21)11-16(19)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,20,21)/t15-/m0/s1
InChIKey NRZTVCQDTBZMJO-HNNXBMFYSA-N
Molecular Weight 347.385 g/mol
SMILES N([C@](C(=O)O)(CC(=O)c1ccccc1)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0a4l-5900000000-6ac26b8ca9cf11464891
Source of Spectrum H-79-1853-10
Synonyms (S)-4-Oxo-4-phenyl-2-(toluene-4-sulfonylamino)-butyric acid 2-{[(4-methylphenyl)sulfonyl]amino}-4-oxo-4-phenylbutanoic acid (2S)-2-[(4-methylphenyl)sulfonylamino]-4-oxo-4-phenylbutanoic acid (2S)-4-oxo-4-phenyl-2-(p-tolylsulfonylamino)butanoic acid (2S)-2-[(4-methylphenyl)sulfonylamino]-4-oxidanylidene-4-phenyl-butanoic acid
Wiley ID 1339944