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CHEBI:158722 - Ile-Pro-Trp

Default Structure
ChEBI IDCHEBI:158722
ChEBI NameIle-Pro-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30N4O4
Net Charge0
Average Mass414.506
Monoisotopic Mass414.22671
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C22H30N4O4/c1-3-13(2)19(23)21(28)26-10-6-9-18(26)20(27)25-17(22(29)30)11-14-12-24-16-8-5-4-7-15(14)16/h4-5,7-8,12-13,17-19,24H,3,6,9-11,23H2,1-2H3,(H,25,27)(H,29,30)/t13-,17-,18-,19-/m0/s1
InChIKeyAKQFLPNANHNTLP-VKOGCVSHSA-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)
Ile-Pro-Trp (CHEBI:158722) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid