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(2S,8S)-9-(tert-Butyldiphenylsilyloxy)-2,8-bis[(4-methylphenyl)-sulfonylamino]-4-oxo-5-azanonanic acid methylester
SpectraBase Compound ID LHrJlimB1pv
InChI InChI=1S/C39H49N3O8S2Si/c1-29-17-21-32(22-18-29)51(45,46)41-31(28-50-53(39(3,4)5,34-13-9-7-10-14-34)35-15-11-8-12-16-35)25-26-40-37(43)27-36(38(44)49-6)42-52(47,48)33-23-19-30(2)20-24-33/h7-24,31,36,41-42H,25-28H2,1-6H3,(H,40,43)/t31-,36-/m0/s1
InChIKey VZCRVDYDTRCMRK-NWWLCHBLSA-N
Mol Weight 780.0 g/mol
Molecular Formula C39H49N3O8S2Si
Exact Mass 779.273034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEMkaXlCL9r
Name (2S,8S)-9-(tert-Butyldiphenylsilyloxy)-2,8-bis[(4-methylphenyl)-sulfonylamino]-4-oxo-5-azanonanic acid methylester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H49N3O8S2Si
InChI InChI=1S/C39H49N3O8S2Si/c1-29-17-21-32(22-18-29)51(45,46)41-31(28-50-53(39(3,4)5,34-13-9-7-10-14-34)35-15-11-8-12-16-35)25-26-40-37(43)27-36(38(44)49-6)42-52(47,48)33-23-19-30(2)20-24-33/h7-24,31,36,41-42H,25-28H2,1-6H3,(H,40,43)/t31-,36-/m0/s1
InChIKey VZCRVDYDTRCMRK-NWWLCHBLSA-N
Literature Reference DOI 10.1002/cber.19901230442
Molecular Weight 780.039 g/mol
SMILES N([C@@](CC(=O)NCC[C@@](CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)(NS(c1ccc(cc1)C)(=O)=O)[H])(C(=O)OC)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0006-9611634000-a615577f90e4f9a3cb01
Source of Spectrum K-123-913-20
Synonyms Methyl N4-((S)-4-((tert-butyldiphenylsilyl)oxy)-3-((4-methylphenyl)sulfonamido)butyl)-N2-tosyl-L-asparaginate
Wiley ID 1792103