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CHEBI:164882 - Trp-Trp-Ile

ChEBI IDCHEBI:164882
ChEBI NameTrp-Trp-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33N5O4
Net Charge0
Average Mass503.603
Monoisotopic Mass503.25325
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C28H33N5O4/c1-3-16(2)25(28(36)37)33-27(35)24(13-18-15-31-23-11-7-5-9-20(18)23)32-26(34)21(29)12-17-14-30-22-10-6-4-8-19(17)22/h4-11,14-16,21,24-25,30-31H,3,12-13,29H2,1-2H3,(H,32,34)(H,33,35)(H,36,37)/t16-,21-,24-,25-/m0/s1
InChIKeyVRTMYQGKPQZAPO-SBCJRHGPSA-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-Trp-Ile (CHEBI:164882) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid