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[(1S,2R)-10-(N,N-dicyclohexylaminosulfonyl)born-2-yl][(2S)-2-(N,N'-di-t-butoxycarbonyl)hydrazinooctanoate]
SpectraBase Compound ID HrF8GpMZwnK
InChI InChI=1S/C40H71N3O8S/c1-10-11-12-19-24-32(42(36(46)51-38(5,6)7)41-35(45)50-37(2,3)4)34(44)49-33-27-29-25-26-40(33,39(29,8)9)28-52(47,48)43(30-20-15-13-16-21-30)31-22-17-14-18-23-31/h29-33H,10-28H2,1-9H3,(H,41,45)/t29-,32+,33-,40-/m0/s1
InChIKey ZHTGKWCYITUWBA-KYFHGJOUSA-N
Mol Weight 754.1 g/mol
Molecular Formula C40H71N3O8S
Exact Mass 753.496187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19bYXgQt5F6
Name [(1S,2R)-10-(N,N-dicyclohexylaminosulfonyl)born-2-yl][(2S)-2-(N,N'-di-t-butoxycarbonyl)hydrazinooctanoate]
Alternate Name(s) di(tert-butyl) 1-((1R)-1-{[((1R,2R)-1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl)oxy]carbonyl}heptyl)-1,2-hydrazinedicarboxylate
CAS Registry Number 119751-28-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H71N3O8S
InChI InChI=1S/C40H71N3O8S/c1-10-11-12-19-24-32(42(36(46)51-38(5,6)7)41-35(45)50-37(2,3)4)34(44)49-33-27-29-25-26-40(33,39(29,8)9)28-52(47,48)43(30-20-15-13-16-21-30)31-22-17-14-18-23-31/h29-33H,10-28H2,1-9H3,(H,41,45)/t29-,32+,33-,40-/m0/s1
InChIKey ZHTGKWCYITUWBA-KYFHGJOUSA-N
Molecular Weight 754.081 g/mol
SMILES N(C(OC(C)(C)C)=O)N([C@@](C(O[C@@]1([C@]2(CS(N(C3CCCCC3)C3CCCCC3)(=O)=O)C([C@@](CC2)(C1)[H])(C)C)[H])=O)(CCCCCC)[H])C(OC(C)(C)C)=O
SPLASH splash10-01b9-6910000000-5cc2f1806e3658b90ea7
Source of Spectrum F-44-5550-11
Wiley ID 1416391