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1,2-Hydrazinedicarboxylic acid, 1-[1-[[[1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl]oxy]carbonyl]-3-methylbutyl]-, bis(1,1-dimethylethyl) ester, [1S-[1.alpha.,2.beta.(S*),4.beta.]]-
SpectraBase Compound ID 3PaQWkdnMp7
InChI InChI=1S/C38H67N3O8S/c1-26(2)23-30(40(34(44)49-36(6,7)8)39-33(43)48-35(3,4)5)32(42)47-31-24-27-21-22-38(31,37(27,9)10)25-50(45,46)41(28-17-13-11-14-18-28)29-19-15-12-16-20-29/h26-31H,11-25H2,1-10H3,(H,39,43)/t27-,30-,31-,38?/m0/s1
InChIKey WPNDBXBASUZHSC-CHQBGJCBSA-N
Mol Weight 726.0 g/mol
Molecular Formula C38H67N3O8S
Exact Mass 725.464887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HRhnUIGY6jW
Name 1,2-Hydrazinedicarboxylic acid, 1-[1-[[[1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl]oxy]carbonyl]-3-methylbutyl]-, bis(1,1-dimethylethyl) ester, [1S-[1.alpha.,2.beta.(S*),4.beta.]]-
CAS Registry Number 119751-27-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H67N3O8S
InChI InChI=1S/C38H67N3O8S/c1-26(2)23-30(40(34(44)49-36(6,7)8)39-33(43)48-35(3,4)5)32(42)47-31-24-27-21-22-38(31,37(27,9)10)25-50(45,46)41(28-17-13-11-14-18-28)29-19-15-12-16-20-29/h26-31H,11-25H2,1-10H3,(H,39,43)/t27-,30-,31-,38?/m0/s1
InChIKey WPNDBXBASUZHSC-CHQBGJCBSA-N
Molecular Weight 726.027 g/mol
SMILES N(C(OC(C)(C)C)=O)N([C@](C(O[C@@]1(C2(CS(N(C3CCCCC3)C3CCCCC3)(=O)=O)C([C@@]([H])(CC2)C1)(C)C)[H])=O)(CC(C)C)[H])C(OC(C)(C)C)=O
SPLASH splash10-0kd0-4911010000-f8695fe3acc8b21c3a56
Source of Spectrum F-44-5549-11
Synonyms di(tert-butyl) 1-((1S)-1-{[((2S,4S)-1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl)oxy]carbonyl}-3-methylbutyl)-1,2-hydrazinedicarboxylate
Wiley ID 1415784