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CHEBI:158843 - Ile-Trp-Trp

ChEBI IDCHEBI:158843
ChEBI NameIle-Trp-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H33N5O4
Net Charge0
Average Mass503.603
Monoisotopic Mass503.25325
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C28H33N5O4/c1-3-16(2)25(29)27(35)32-23(12-17-14-30-21-10-6-4-8-19(17)21)26(34)33-24(28(36)37)13-18-15-31-22-11-7-5-9-20(18)22/h4-11,14-16,23-25,30-31H,3,12-13,29H2,1-2H3,(H,32,35)(H,33,34)(H,36,37)/t16-,23-,24-,25-/m0/s1
InChIKeyXDVKZSJODLMNLJ-GGQYPGDFSA-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-Trp (CHEBI:158843) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid