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(1R*,2S*,3R*,4S*)-N,N'-Dibenzyl-2,3-ditosyl-1,4-diphenyl-1,4-butanediamine
SpectraBase Compound ID QMyJoCcLya
InChI InChI=1S/C44H44N2O4S2/c1-33-23-27-39(28-24-33)51(47,48)43(41(37-19-11-5-12-20-37)45-31-35-15-7-3-8-16-35)44(52(49,50)40-29-25-34(2)26-30-40)42(38-21-13-6-14-22-38)46-32-36-17-9-4-10-18-36/h3-30,41-46H,31-32H2,1-2H3/t41-,42+,43+,44-
InChIKey FCWGVBKFLNTQAC-QRJWCXHQSA-N
Mol Weight 729.0 g/mol
Molecular Formula C44H44N2O4S2
Exact Mass 728.27425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zFhQq0mvLg
Name (1R*,2S*,3R*,4S*)-N,N'-Dibenzyl-2,3-ditosyl-1,4-diphenyl-1,4-butanediamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H44N2O4S2
InChI InChI=1S/C44H44N2O4S2/c1-33-23-27-39(28-24-33)51(47,48)43(41(37-19-11-5-12-20-37)45-31-35-15-7-3-8-16-35)44(52(49,50)40-29-25-34(2)26-30-40)42(38-21-13-6-14-22-38)46-32-36-17-9-4-10-18-36/h3-30,41-46H,31-32H2,1-2H3/t41-,42+,43+,44-
InChIKey FCWGVBKFLNTQAC-QRJWCXHQSA-N
Molecular Weight 728.966 g/mol
SMILES N([C@@]([C@@]([C@@]([C@@](NCc1ccccc1)(c1ccccc1)[H])(S(c1ccc(cc1)C)(=O)=O)[H])(S(c1ccc(cc1)C)(=O)=O)[H])(c1ccccc1)[H])Cc1ccccc1
SPLASH splash10-0007-9300000000-183097a60fd04f26ef78
Source of Spectrum F-53-4803-14
Synonyms (1R,2S,3R,4S)-N(1),N(4)-dibenzyl-2,3-bis[(4-methylphenyl)sulfonyl]-1,4-diphenyl-1,4-butanediamine N-benzyl-N-{(1R,2S,3R,4S)-4-(benzylamino)-2,3-bis[(4-methylphenyl)sulfonyl]-1,4-diphenylbutyl}amine
Wiley ID 801344