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S-(4'-tolyl) (2S,3S)-3-(tert-butoxycarbonylamino)-2-benzylamino)butanethioate
SpectraBase Compound ID FeMXKUY1Ghp
InChI InChI=1S/C23H30N2O3S/c1-16-11-13-19(14-12-16)29-21(26)20(24-15-18-9-7-6-8-10-18)17(2)25-22(27)28-23(3,4)5/h6-14,17,20,24H,15H2,1-5H3,(H,25,27)/t17-,20-/m0/s1
InChIKey YUKYRBZTMVLQDM-PXNSSMCTSA-N
Mol Weight 414.56 g/mol
Molecular Formula C23H30N2O3S
Exact Mass 414.197714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID clFDpPlITV
Name S-(4'-tolyl) (2S,3S)-3-(tert-butoxycarbonylamino)-2-benzylamino)butanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H30N2O3S
InChI InChI=1S/C23H30N2O3S/c1-16-11-13-19(14-12-16)29-21(26)20(24-15-18-9-7-6-8-10-18)17(2)25-22(27)28-23(3,4)5/h6-14,17,20,24H,15H2,1-5H3,(H,25,27)/t17-,20-/m0/s1
InChIKey YUKYRBZTMVLQDM-PXNSSMCTSA-N
Molecular Weight 414.564 g/mol
SMILES N([C@@]([C@@](NC(OC(C)(C)C)=O)(C)[H])(C(Sc1ccc(cc1)C)=O)[H])Cc1ccccc1
SPLASH splash10-052f-9280000000-7f40e2e045eef0e7c433
Source of Spectrum CV-2002-2303-15
Synonyms S-(4'-Tolyl) (2S,3S)-3-(tert-Butyloxycarbonlamino)-2-(benzylamino)butanethioate
Wiley ID 1610362