EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161809 - Phe-Pro-Ile

Default Structure
ChEBI IDCHEBI:161809
ChEBI NamePhe-Pro-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H29N3O4
Net Charge0
Average Mass375.469
Monoisotopic Mass375.21581
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H29N3O4/c1-3-13(2)17(20(26)27)22-18(24)16-10-7-11-23(16)19(25)15(21)12-14-8-5-4-6-9-14/h4-6,8-9,13,15-17H,3,7,10-12,21H2,1-2H3,(H,22,24)(H,26,27)/t13-,15-,16-,17-/m0/s1
InChIKeyFZBGMXYQPACKNC-HJWJTTGWSA-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-Pro-Ile (CHEBI:161809) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid