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CHEBI:164961 - Tyr-Arg-Ile

ChEBI IDCHEBI:164961
ChEBI NameTyr-Arg-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34N6O5
Net Charge0
Average Mass450.540
Monoisotopic Mass450.25907
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O
InChIInChI=1S/C21H34N6O5/c1-3-12(2)17(20(31)32)27-19(30)16(5-4-10-25-21(23)24)26-18(29)15(22)11-13-6-8-14(28)9-7-13/h6-9,12,15-17,28H,3-5,10-11,22H2,1-2H3,(H,26,29)(H,27,30)(H,31,32)(H4,23,24,25)/t12-,15-,16-,17-/m0/s1
InChIKeyKDGFPPHLXCEQRN-STECZYCISA-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)
Tyr-Arg-Ile (CHEBI:164961) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoic acid