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CHEBI:164822 - Trp-Pro-Ile

Default Structure
ChEBI IDCHEBI:164822
ChEBI NameTrp-Pro-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30N4O4
Net Charge0
Average Mass414.506
Monoisotopic Mass414.22671
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C22H30N4O4/c1-3-13(2)19(22(29)30)25-20(27)18-9-6-10-26(18)21(28)16(23)11-14-12-24-17-8-5-4-7-15(14)17/h4-5,7-8,12-13,16,18-19,24H,3,6,9-11,23H2,1-2H3,(H,25,27)(H,29,30)/t13-,16-,18-,19-/m0/s1
InChIKeyVCGOTJGGBXEBFO-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-Pro-Ile (CHEBI:164822) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid