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CHEBI:221622 - N-prenyl-cyclo-L-tryptophyl-L-proline

ChEBI IDCHEBI:221622
ChEBI NameN-prenyl-cyclo-L-tryptophyl-L-proline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N3O2
Net Charge0
Average Mass351.450
Monoisotopic Mass351.19468
SMILESCC(C)=CCn1cc(C[C@@H]2NC(=O)[C@@H]3CCCN3C2=O)c2ccccc21
InChIInChI=1S/C21H25N3O2/c1-14(2)9-11-23-13-15(16-6-3-4-7-18(16)23)12-17-21(26)24-10-5-8-19(24)20(25)22-17/h3-4,6-7,9,13,17,19H,5,8,10-12H2,1-2H3,(H,22,25)/t17-,19-/m0/s1
InChIKeyUHDXIZKDEGWFRD-HKUYNNGSSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1016/j.tet.2008.06.013)
ChEBI Ontology
Outgoing Relation(s)
N-prenyl-cyclo-L-tryptophyl-L-proline (CHEBI:221622) has functional parent α-amino acid (CHEBI:33704)
N-prenyl-cyclo-L-tryptophyl-L-proline (CHEBI:221622) is a organonitrogen compound (CHEBI:35352)
N-prenyl-cyclo-L-tryptophyl-L-proline (CHEBI:221622) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,8aS)-3-[[1-(3-methylbut-2-enyl)indol-3-yl]methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
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78438225ChemSpider