EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161649 - Phe-Leu-Ile

ChEBI IDCHEBI:161649
ChEBI NamePhe-Leu-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H33N3O4
Net Charge0
Average Mass391.512
Monoisotopic Mass391.24711
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C21H33N3O4/c1-5-14(4)18(21(27)28)24-20(26)17(11-13(2)3)23-19(25)16(22)12-15-9-7-6-8-10-15/h6-10,13-14,16-18H,5,11-12,22H2,1-4H3,(H,23,25)(H,24,26)(H,27,28)/t14-,16-,17-,18-/m0/s1
InChIKeyKZRQONDKKJCAOL-DKIMLUQUSA-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-Leu-Ile (CHEBI:161649) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoic acid