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CHEBI:158837 - Ile-Trp-Pro

ChEBI IDCHEBI:158837
ChEBI NameIle-Trp-Pro
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)N[C@@H](Cc1cnc2ccccc12)C(=O)N1CCC[C@@H]1C(=O)O
InChIInChI=1S/C22H30N4O4/c1-3-13(2)19(23)20(27)25-17(21(28)26-10-6-9-18(26)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
InChIKeyBQIIHAGJIYOQBP-YFYLHZKVSA-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-Trp-Pro (CHEBI:158837) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid