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Threo-N-(2-((1,3-dioxoisoindolin-2-yl)methyl)-3-oxo-1-phenylbutyl)-4-methylbenzenesulfonamide
SpectraBase Compound ID ACXLCB7hwRg
InChI InChI=1S/C26H24N2O5S/c1-17-12-14-20(15-13-17)34(32,33)27-24(19-8-4-3-5-9-19)23(18(2)29)16-28-25(30)21-10-6-7-11-22(21)26(28)31/h3-15,23-24,27H,16H2,1-2H3/t23-,24+/m1/s1
InChIKey MEPIEAUWDCFOIY-RPWUZVMVSA-N
Mol Weight 476.55 g/mol
Molecular Formula C26H24N2O5S
Exact Mass 476.140593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1b5ugp48QM4
Name Threo-N-(2-((1,3-dioxoisoindolin-2-yl)methyl)-3-oxo-1-phenylbutyl)-4-methylbenzenesulfonamide
Alternate Name(s) N-((1R,2S)-2-((1,3-dioxoisoindolin-2-yl)methyl)-3-oxo-1-phenylbutyl)-4-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24N2O5S
InChI InChI=1S/C26H24N2O5S/c1-17-12-14-20(15-13-17)34(32,33)27-24(19-8-4-3-5-9-19)23(18(2)29)16-28-25(30)21-10-6-7-11-22(21)26(28)31/h3-15,23-24,27H,16H2,1-2H3/t23-,24+/m1/s1
InChIKey MEPIEAUWDCFOIY-RPWUZVMVSA-N
Literature Reference DOI 10.1021/jo102143r
Molecular Weight 476.547 g/mol
SMILES N([C@]([C@@](C(C)=O)(CN1C(=O)c2c(cccc2)C1=O)[H])(c1ccccc1)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0ab9-0941000000-480526f85b4fca6c6a8c
Source of Spectrum J-76-2888/SMS12-threo_5c
Wiley ID 1755559