EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161791 - Phe-Pro-Ala

ChEBI IDCHEBI:161791
ChEBI NamePhe-Pro-Ala
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H23N3O4
Net Charge0
Average Mass333.388
Monoisotopic Mass333.16886
SMILESC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H23N3O4/c1-11(17(23)24)19-15(21)14-8-5-9-20(14)16(22)13(18)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14H,5,8-10,18H2,1H3,(H,19,21)(H,23,24)/t11-,13-,14-/m0/s1
InChIKeyJLLJTMHNXQTMCK-UBHSHLNASA-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-Ala (CHEBI:161791) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
Manual XrefsDatabases
117906ChemSpider
Registry NumbersSources
CAS:81391-38-0ChemIDplus