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Threo-N-(2-((1,3-dioxoisoindolin-2-yl)methyl)-1-(4-methoxyphenyl)-3-oxobutyl)-4-methylbenzenesulfonamide
SpectraBase Compound ID AYFfY0q00Zn
InChI InChI=1S/C27H26N2O6S/c1-17-8-14-21(15-9-17)36(33,34)28-25(19-10-12-20(35-3)13-11-19)24(18(2)30)16-29-26(31)22-6-4-5-7-23(22)27(29)32/h4-15,24-25,28H,16H2,1-3H3/t24-,25+/m1/s1
InChIKey PGFNJRJEERYZJT-RPBOFIJWSA-N
Mol Weight 506.57 g/mol
Molecular Formula C27H26N2O6S
Exact Mass 506.151158 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZYYLpTqhG5
Name Threo-N-(2-((1,3-dioxoisoindolin-2-yl)methyl)-1-(4-methoxyphenyl)-3-oxobutyl)-4-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26N2O6S
InChI InChI=1S/C27H26N2O6S/c1-17-8-14-21(15-9-17)36(33,34)28-25(19-10-12-20(35-3)13-11-19)24(18(2)30)16-29-26(31)22-6-4-5-7-23(22)27(29)32/h4-15,24-25,28H,16H2,1-3H3/t24-,25+/m1/s1
InChIKey PGFNJRJEERYZJT-RPBOFIJWSA-N
Molecular Weight 506.573 g/mol
SMILES N([C@@](c1ccc(cc1)OC)([C@](CN1C(=O)c2c(cccc2)C1=O)(C(C)=O)[H])[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-000i-0590000000-cf5107c67cec292d1a85
Source of Spectrum J-76-2888/SMS11-threo_5b
Synonyms N-((1R,2S)-2-((1,3-dioxoisoindolin-2-yl)methyl)-1-(4-methoxyphenyl)-3-oxobutyl)-4-methylbenzenesulfonamide
Wiley ID 1755558