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CHEBI:181654 - N-(1H-Indol-3-ylacetyl)isoleucine

ChEBI IDCHEBI:181654
ChEBI NameN-(1H-Indol-3-ylacetyl)isoleucine
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20N2O3
Net Charge0
Average Mass288.347
Monoisotopic Mass288.14739
SMILESCCC(C)C(NC(=O)Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C16H20N2O3/c1-3-10(2)15(16(20)21)18-14(19)8-11-9-17-13-7-5-4-6-12(11)13/h4-7,9-10,15,17H,3,8H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyWPTUQMUCTTVOFW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(1H-Indol-3-ylacetyl)isoleucine (CHEBI:181654) is a isoleucine derivative (CHEBI:24899)
IUPAC Name 
2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylpentanoic acid
Manual XrefsDatabases
2569411ChemSpider