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L-Valine, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-
SpectraBase Compound ID LDWnbNgKLJj
InChI InChI=1S/C27H48N2O4S/c1-19(2)24(28)25(30)33-23-17-20-15-16-27(23,26(20,3)4)18-34(31,32)29(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h19-24H,5-18,28H2,1-4H3/t20?,23?,24-,27+/m0/s1
InChIKey JOMOCUGKVPNSRU-BOKDMCPHSA-N
Mol Weight 496.8 g/mol
Molecular Formula C27H48N2O4S
Exact Mass 496.333479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AO3xFKavma2
Name L-Valine, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-
CAS Registry Number 110449-49-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48N2O4S
InChI InChI=1S/C27H48N2O4S/c1-19(2)24(28)25(30)33-23-17-20-15-16-27(23,26(20,3)4)18-34(31,32)29(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h19-24H,5-18,28H2,1-4H3/t20?,23?,24-,27+/m0/s1
InChIKey JOMOCUGKVPNSRU-BOKDMCPHSA-N
Molecular Weight 496.751 g/mol
SMILES N[C@](C(OC1[C@@]2(CS(N(C3CCCCC3)C3CCCCC3)(=O)=O)C(C(CC2)C1)(C)C)=O)(C(C)C)[H]
SPLASH splash10-00e9-9400000000-d59e823e15d5fc55eaad
Source of Spectrum F-44-5547-12
Synonyms (1S)-1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl (2S)-2-amino-3-methylbutanoate [(1S,2R)-10-(N,N-dicyclohexylaminosulfonyl)born-2-yl](2R)-2-aminoisovalerate [(1S,2R)-10-(N,N-dicyclohexylaminosulfonyl)born-2-yl](2R)-2-aminovalerate
Wiley ID 1398246