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Threo-N-(2-((2,5-dioxopyrrolidin-1-yl)methyl)-1-(4-methoxyphenyl)-3-oxobutyl)-4-methylbenzenesulfonamide
SpectraBase Compound ID H4mFQYwK7pN
InChI InChI=1S/C23H26N2O6S/c1-15-4-10-19(11-5-15)32(29,30)24-23(17-6-8-18(31-3)9-7-17)20(16(2)26)14-25-21(27)12-13-22(25)28/h4-11,20,23-24H,12-14H2,1-3H3/t20-,23+/m1/s1
InChIKey YXHRZFYVWPAOJC-OFNKIYASSA-N
Mol Weight 458.53 g/mol
Molecular Formula C23H26N2O6S
Exact Mass 458.151158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9J0UrlpLK9h
Name Threo-N-(2-((2,5-dioxopyrrolidin-1-yl)methyl)-1-(4-methoxyphenyl)-3-oxobutyl)-4-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26N2O6S
InChI InChI=1S/C23H26N2O6S/c1-15-4-10-19(11-5-15)32(29,30)24-23(17-6-8-18(31-3)9-7-17)20(16(2)26)14-25-21(27)12-13-22(25)28/h4-11,20,23-24H,12-14H2,1-3H3/t20-,23+/m1/s1
InChIKey YXHRZFYVWPAOJC-OFNKIYASSA-N
Literature Reference DOI 10.1021/jo102143r
Molecular Weight 458.529 g/mol
SMILES N([C@@](c1ccc(cc1)OC)([C@](CN1C(CCC1=O)=O)(C(C)=O)[H])[H])S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0019-1890000000-02847da1df7fa24bc2d1
Source of Spectrum J-76-2888/SMS31-threo_6a
Synonyms N-((1R,2S)-2-((2,5-dioxopyrrolidin-1-yl)methyl)-1-(4-methoxyphenyl)-3-oxobutyl)-4-methylbenzenesulfonamide
Wiley ID 1755565