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CHEBI:162411 - Pro-Ile-Trp

ChEBI IDCHEBI:162411
ChEBI NamePro-Ile-Trp
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]1CCCN1)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C22H30N4O4/c1-3-13(2)19(26-20(27)17-9-6-10-23-17)21(28)25-18(22(29)30)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,25,28)(H,26,27)(H,29,30)/t13-,17-,18-,19-/m0/s1
InChIKeyZTMLZUNPFDGPKY-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-Ile-Trp (CHEBI:162411) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-3-(1H-indol-3-yl)-2-[[(2S,3S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoic acid