EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:161769 - Phe-Phe-Ile

ChEBI IDCHEBI:161769
ChEBI NamePhe-Phe-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31N3O4
Net Charge0
Average Mass425.529
Monoisotopic Mass425.23146
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C24H31N3O4/c1-3-16(2)21(24(30)31)27-23(29)20(15-18-12-8-5-9-13-18)26-22(28)19(25)14-17-10-6-4-7-11-17/h4-13,16,19-21H,3,14-15,25H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)/t16-,19-,20-,21-/m0/s1
InChIKeyFENSZYFJQOFSQR-FIRPJDEBSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Phe-Phe-Ile (CHEBI:161769) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoic acid
Manual XrefsDatabases
9582539ChemSpider