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CHEBI:198424 - (S,E)-3-methyl-2-(N-methylacetamido)-N-(2-(7-(3-methylbut-2-enyl)-1H-indol-3-yl)vinyl)butanamide

ChEBI IDCHEBI:198424
ChEBI Name(S,E)-3-methyl-2-(N-methylacetamido)-N-(2-(7-(3-methylbut-2-enyl)-1H-indol-3-yl)vinyl)butanamide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31N3O2
Net Charge0
Average Mass381.520
Monoisotopic Mass381.24163
SMILESCC(=O)N(C)[C@H](C(=O)N/C=C/c1cnc2c(CC=C(C)C)cccc12)C(C)C
InChIInChI=1S/C23H31N3O2/c1-15(2)10-11-18-8-7-9-20-19(14-25-21(18)20)12-13-24-23(28)22(16(3)4)26(6)17(5)27/h7-10,12-14,16,22,25H,11H2,1-6H3,(H,24,28)/b13-12+/t22-/m0/s1
InChIKeyWHFCSKJBZCDEKG-GNNUASRNSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (21792207)
ChEBI Ontology
Outgoing Relation(s)
(S,E)-3-methyl-2-(N-methylacetamido)-N-(2-(7-(3-methylbut-2-enyl)-1H-indol-3-yl)vinyl)butanamide (CHEBI:198424) is a valine derivative (CHEBI:27267)
IUPAC Name 
(2S)-2-[acetyl(methyl)amino]-3-methyl-N-[(E)-2-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]ethenyl]butanamide
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