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[(1S,2R)-10-(N,N-dicyclohexylaminosulfonyl)born-2-yl][(2S)-2-(N,N'-di-t-butoxycarbonyl)hydrazinovalerate
SpectraBase Compound ID 1I675Bw7DeC
InChI InChI=1S/C37H65N3O8S/c1-10-17-29(39(33(43)48-35(5,6)7)38-32(42)47-34(2,3)4)31(41)46-30-24-37(23-22-28(30)36(37,8)9)25-49(44,45)40(26-18-13-11-14-19-26)27-20-15-12-16-21-27/h26-30H,10-25H2,1-9H3,(H,38,42)/t28-,29?,30+,37+/m0/s1
InChIKey PJPUYCDVRQDTNL-JLCPIYPRSA-N
Mol Weight 712.0 g/mol
Molecular Formula C37H65N3O8S
Exact Mass 711.449237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZoTak1FpOu
Name [(1S,2R)-10-(N,N-dicyclohexylaminosulfonyl)born-2-yl][(2S)-2-(N,N'-di-t-butoxycarbonyl)hydrazinovalerate
CAS Registry Number 119751-25-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H65N3O8S
InChI InChI=1S/C37H65N3O8S/c1-10-17-29(39(33(43)48-35(5,6)7)38-32(42)47-34(2,3)4)31(41)46-30-24-37(23-22-28(30)36(37,8)9)25-49(44,45)40(26-18-13-11-14-19-26)27-20-15-12-16-21-27/h26-30H,10-25H2,1-9H3,(H,38,42)/t28-,29?,30+,37+/m0/s1
InChIKey PJPUYCDVRQDTNL-JLCPIYPRSA-N
Molecular Weight 712.000 g/mol
SMILES N(C(OC(C)(C)C)=O)N(C(C(O[C@@]1(C[C@]2(CS(N(C3CCCCC3)C3CCCCC3)(=O)=O)C([C@@]1([H])CC2)(C)C)[H])=O)CCC)C(OC(C)(C)C)=O
SPLASH splash10-0a4r-9510010000-7a81e679c15bb0f21932
Source of Spectrum F-44-5547-11
Synonyms di(tert-butyl) 1-(1-{[((1S,2R)-4-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl)oxy]carbonyl}butyl)-1,2-hydrazinedicarboxylate
Wiley ID 1415386