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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	N-(1H-Indol-3-ylacetyl)isoleucine

ChEBI ID	CHEBI:181654

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H20N2O3

Net Charge

Average Mass

288.347

Monoisotopic Mass

288.14739

InChI

InChI=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)

InChIKey

WPTUQMUCTTVOFW-UHFFFAOYSA-N

SMILES

OC(=O)C(NC(=O)CC=1C=2C(NC1)=CC=CC2)C(CC)C

ChEBI Ontology
Outgoing	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