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CHEBI:158065 - His-Tyr-Ile

Default Structure
ChEBI IDCHEBI:158065
ChEBI NameHis-Tyr-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29N5O5
Net Charge0
Average Mass431.493
Monoisotopic Mass431.21687
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C21H29N5O5/c1-3-12(2)18(21(30)31)26-20(29)17(8-13-4-6-15(27)7-5-13)25-19(28)16(22)9-14-10-23-11-24-14/h4-7,10-12,16-18,27H,3,8-9,22H2,1-2H3,(H,23,24)(H,25,28)(H,26,29)(H,30,31)/t12-,16-,17-,18-/m0/s1
InChIKeyUWNUQPZUSRFIIN-JUKXBJQTSA-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)
His-Tyr-Ile (CHEBI:158065) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoic acid