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CHEBI:161594 - Phe-Ile-Arg

ChEBI IDCHEBI:161594
ChEBI NamePhe-Ile-Arg
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34N6O4
Net Charge0
Average Mass434.541
Monoisotopic Mass434.26415
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C21H34N6O4/c1-3-13(2)17(27-18(28)15(22)12-14-8-5-4-6-9-14)19(29)26-16(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,26,29)(H,27,28)(H,30,31)(H4,23,24,25)/t13-,15-,16-,17-/m0/s1
InChIKeyFXPZZKBHNOMLGA-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)
Phe-Ile-Arg (CHEBI:161594) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual XrefsDatabases
16573580ChemSpider