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L-Alanine, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-
SpectraBase Compound ID AQfCCzfSJgf
InChI InChI=1S/C25H44N2O4S/c1-18(26)23(28)31-22-16-19-14-15-25(22,24(19,2)3)17-32(29,30)27(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h18-22H,4-17,26H2,1-3H3/t18-,19+,22-,25+/m0/s1
InChIKey IPTMPFWMYWTEHJ-CFGBTRHTSA-N
Mol Weight 468.7 g/mol
Molecular Formula C25H44N2O4S
Exact Mass 468.302179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1H3YYsdqw4t
Name L-Alanine, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-
CAS Registry Number 110449-46-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H44N2O4S
InChI InChI=1S/C25H44N2O4S/c1-18(26)23(28)31-22-16-19-14-15-25(22,24(19,2)3)17-32(29,30)27(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h18-22H,4-17,26H2,1-3H3/t18-,19+,22-,25+/m0/s1
InChIKey IPTMPFWMYWTEHJ-CFGBTRHTSA-N
Molecular Weight 468.697 g/mol
SMILES N[C@](C(O[C@@]1([C@@]2(CS(N(C3CCCCC3)C3CCCCC3)(=O)=O)C([C@](CC2)(C1)[H])(C)C)[H])=O)(C)[H]
SPLASH splash10-001i-7901000000-968e470109772c4c0f0f
Source of Spectrum F-44-5546-12
Synonyms (1S)-1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl (2S)-2-aminopropanoate [(1S,2R)-10-(N,N-dicyclohexylaminosulfonyl)born-2-yl](2R)-2-aminopropionate
Wiley ID 1392388