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CHEBI:162715 - Pro-Trp-Ile

ChEBI IDCHEBI:162715
ChEBI NamePro-Trp-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](Cc1cnc2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C22H30N4O4/c1-3-13(2)19(22(29)30)26-21(28)18(25-20(27)17-9-6-10-23-17)11-14-12-24-16-8-5-4-7-15(14)16/h4-5,7-8,12-13,17-19,23-24H,3,6,9-11H2,1-2H3,(H,25,27)(H,26,28)(H,29,30)/t13-,17-,18-,19-/m0/s1
InChIKeyVVEQUISRWJDGMX-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)
Pro-Trp-Ile (CHEBI:162715) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylpentanoic acid