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CHEBI:158652 - Ile-Phe-Arg

ChEBI IDCHEBI:158652
ChEBI NameIle-Phe-Arg
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34N6O4
Net Charge0
Average Mass434.541
Monoisotopic Mass434.26415
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C21H34N6O4/c1-3-13(2)17(22)19(29)27-16(12-14-8-5-4-6-9-14)18(28)26-15(20(30)31)10-7-11-25-21(23)24/h4-6,8-9,13,15-17H,3,7,10-12,22H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)(H4,23,24,25)/t13-,15-,16-,17-/m0/s1
InChIKeyUYNXBNHVWFNVIN-HJWJTTGWSA-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-Phe-Arg (CHEBI:158652) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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