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CHEBI:158825 - Ile-Trp-His

ChEBI IDCHEBI:158825
ChEBI NameIle-Trp-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30N6O4
Net Charge0
Average Mass454.531
Monoisotopic Mass454.23285
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C23H30N6O4/c1-3-13(2)20(24)22(31)28-18(8-14-10-26-17-7-5-4-6-16(14)17)21(30)29-19(23(32)33)9-15-11-25-12-27-15/h4-7,10-13,18-20,26H,3,8-9,24H2,1-2H3,(H,25,27)(H,28,31)(H,29,30)(H,32,33)/t13-,18-,19-,20-/m0/s1
InChIKeyWJBOZUVRPOIQNN-KJYZGMDISA-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-His (CHEBI:158825) 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-imidazol-5-yl)propanoic acid
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