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CHEBI:158486 - Ile-His-Tyr

ChEBI IDCHEBI:158486
ChEBI NameIle-His-Tyr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29N5O5
Net Charge0
Average Mass431.493
Monoisotopic Mass431.21687
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C21H29N5O5/c1-3-12(2)18(22)20(29)25-16(9-14-10-23-11-24-14)19(28)26-17(21(30)31)8-13-4-6-15(27)7-5-13/h4-7,10-12,16-18,27H,3,8-9,22H2,1-2H3,(H,23,24)(H,25,29)(H,26,28)(H,30,31)/t12-,16-,17-,18-/m0/s1
InChIKeyVNDQNDYEPSXHLU-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)
Ile-His-Tyr (CHEBI:158486) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid