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CHEBI:227317 - [(2S)-1-(1H-indol-3-yl)-5-methyl-3-oxohexan-2-yl] 2-aminobenzoate

ChEBI IDCHEBI:227317
ChEBI Name[(2S)-1-(1H-indol-3-yl)-5-methyl-3-oxohexan-2-yl] 2-aminobenzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24N2O3
Net Charge0
Average Mass364.445
Monoisotopic Mass364.17869
SMILESCC(C)CC(=O)[C@H](Cc1cnc2ccccc12)OC(=O)c1ccccc1N
InChIInChI=1S/C22H24N2O3/c1-14(2)11-20(25)21(27-22(26)17-8-3-5-9-18(17)23)12-15-13-24-19-10-6-4-7-16(15)19/h3-10,13-14,21,24H,11-12,23H2,1-2H3/t21-/m0/s1
InChIKeyWCAQCYOIPCQNJY-NRFANRHFSA-N
Species of MetaboliteComponentSourceComments
Clostridium beijerinckii (ncbitaxon:1520) - PubMed (31243958)
ChEBI Ontology
Outgoing Relation(s)
[(2S)-1-(1H-indol-3-yl)-5-methyl-3-oxohexan-2-yl] 2-aminobenzoate (CHEBI:227317) is a benzoate ester (CHEBI:36054)
IUPAC Name 
[(2S)-1-(1H-indol-3-yl)-5-methyl-3-oxohexan-2-yl] 2-aminobenzoate