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CHEBI:158524 - Ile-Ile-Trp

ChEBI IDCHEBI:158524
ChEBI NameIle-Ile-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34N4O4
Net Charge0
Average Mass430.549
Monoisotopic Mass430.25801
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O)[C@@H](C)CC
InChIInChI=1S/C23H34N4O4/c1-5-13(3)19(24)21(28)27-20(14(4)6-2)22(29)26-18(23(30)31)11-15-12-25-17-10-8-7-9-16(15)17/h7-10,12-14,18-20,25H,5-6,11,24H2,1-4H3,(H,26,29)(H,27,28)(H,30,31)/t13-,14-,18-,19-,20-/m0/s1
InChIKeyGLLAUPMJCGKPFY-BLMTYFJBSA-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-Ile-Trp (CHEBI:158524) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid