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CHABAMIDE-K
SpectraBase Compound ID 1qLfQN8qqjG
InChI InChI=1S/C28H50N2O2/c1-7-9-11-13-23-15-16-26(28(32)30-20-22(5)6)25(24(23)14-12-10-8-2)17-18-27(31)29-19-21(3)4/h15-18,21-26H,7-14,19-20H2,1-6H3,(H,29,31)(H,30,32)/b18-17+/t23-,24-,25+,26+/m1/s1
InChIKey WPDPJKDSGPYRKL-DHEXJBJSSA-N
Mol Weight 446.7 g/mol
Molecular Formula C28H50N2O2
Exact Mass 446.387229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66H9KpUwGZi
Name (1S,4R,5R,6S)-6-((E)-2-Isobutylcarbamoyl-vinyl)-4,5-dipentyl-cyclohex-2-enecarboxylic acid isobutyl-amide
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Formula C28H50N2O2
InChI InChI=1S/C28H50N2O2/c1-7-9-11-13-23-15-16-26(28(32)30-20-22(5)6)25(24(23)14-12-10-8-2)17-18-27(31)29-19-21(3)4/h15-18,21-26H,7-14,19-20H2,1-6H3,(H,29,31)(H,30,32)/b18-17+/t23-,24-,25+,26+/m1/s1
InChIKey WPDPJKDSGPYRKL-DHEXJBJSSA-N
Molecular Weight 446.720 g/mol
SMILES N(C([C@@]1([C@@](\C=C\C(NCC(C)C)=O)([C@@]([C@@](C=C1)(CCCCC)[H])(CCCCC)[H])[H])[H])=O)CC(C)C
SPLASH splash10-0abc-9010000000-624a50c8b08d8dbc8f68
Source of Spectrum F-67-1891-4
Synonyms Chabamide K (1S,4R,5R,6S)-N-(2-methylpropyl)-6-[(E)-3-(2-methylpropylamino)-3-oxoprop-1-enyl]-4,5-dipentyl-1-cyclohex-2-enecarboxamide (1S,4R,5R,6S)-N-(2-methylpropyl)-6-[(E)-3-(2-methylpropylamino)-3-oxoprop-1-enyl]-4,5-dipentylcyclohex-2-ene-1-carboxamide (1S,4R,5R,6S)-N-isobutyl-6-[(E)-3-(isobutylamino)-3-oxo-prop-1-enyl]-4,5-dipentyl-cyclohex-2-ene-1-carboxamide (1S,4R,5R,6S)-N-(2-methylpropyl)-6-[(E)-3-(2-methylpropylamino)-3-oxidanylidene-prop-1-enyl]-4,5-dipentyl-cyclohex-2-ene-1-carboxamide
Wiley ID 1685882