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CHEBI:161280 - Phe-Arg-Arg

ChEBI IDCHEBI:161280
ChEBI NamePhe-Arg-Arg
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H35N9O4
Net Charge0
Average Mass477.570
Monoisotopic Mass477.28120
SMILESNC(N)=NCCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C21H35N9O4/c22-14(12-13-6-2-1-3-7-13)17(31)29-15(8-4-10-27-20(23)24)18(32)30-16(19(33)34)9-5-11-28-21(25)26/h1-3,6-7,14-16H,4-5,8-12,22H2,(H,29,31)(H,30,32)(H,33,34)(H4,23,24,27)(H4,25,26,28)/t14-,15-,16-/m0/s1
InChIKeyLZDIENNKWVXJMX-JYJNAYRXSA-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-Arg-Arg (CHEBI:161280) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual XrefsDatabases
20084751ChemSpider
Registry NumbersSources
CAS:150398-22-4ChemIDplus