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Butanoic acid, 2-amino-, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.beta.(R*),4.beta.]]-

View entire compound with spectra: 1 MS (GC)

Butanoic acid, 2-amino-, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.beta.(R*),4.beta.]]-
SpectraBase Compound ID AECFky2AKFo
InChI InChI=1S/C26H46N2O4S/c1-4-22(27)24(29)32-23-17-19-15-16-26(23,25(19,2)3)18-33(30,31)28(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h19-23H,4-18,27H2,1-3H3/t19-,22+,23-,26+/m0/s1
InChIKey CLIHMKZSPKZTNI-ASTYLPHCSA-N
Mol Weight 482.7 g/mol
Molecular Formula C26H46N2O4S
Exact Mass 482.317829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AN7K0e8Te6
Name Butanoic acid, 2-amino-, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, [1S-[1.alpha.,2.beta.(R*),4.beta.]]-
Alternate Name(s) (1S,2S,4S)-1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl (2R)-2-aminobutanoate [(1S,2R)-10-(N,N'-dicyclohexylaminosulfonyl)born-2-yl](2R)-2-aminobutyrate
CAS Registry Number 110449-47-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H46N2O4S
InChI InChI=1S/C26H46N2O4S/c1-4-22(27)24(29)32-23-17-19-15-16-26(23,25(19,2)3)18-33(30,31)28(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h19-23H,4-18,27H2,1-3H3/t19-,22+,23-,26+/m0/s1
InChIKey CLIHMKZSPKZTNI-ASTYLPHCSA-N
Molecular Weight 482.724 g/mol
SMILES N[C@@](C(O[C@@]1([C@@]2(CS(N(C3CCCCC3)C3CCCCC3)(=O)=O)C([C@@]([H])(CC2)C1)(C)C)[H])=O)(CC)[H]
SPLASH splash10-0a4i-9300000000-bc0fc4155092c7ca03c2
Source of Spectrum F-44-5546-12
Wiley ID 1395610