EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:164921 - Trp-Val-Ile

ChEBI IDCHEBI:164921
ChEBI NameTrp-Val-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32N4O4
Net Charge0
Average Mass416.522
Monoisotopic Mass416.24236
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(C)C)C(=O)O
InChIInChI=1S/C22H32N4O4/c1-5-13(4)19(22(29)30)26-21(28)18(12(2)3)25-20(27)16(23)10-14-11-24-17-9-7-6-8-15(14)17/h6-9,11-13,16,18-19,24H,5,10,23H2,1-4H3,(H,25,27)(H,26,28)(H,29,30)/t13-,16-,18-,19-/m0/s1
InChIKeySWSUXOKZKQRADK-FDARSICLSA-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)
Trp-Val-Ile (CHEBI:164921) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid