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CHEBI:161296 - Phe-Arg-Ile

ChEBI IDCHEBI:161296
ChEBI NamePhe-Arg-Ile
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](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C21H34N6O4/c1-3-13(2)17(20(30)31)27-19(29)16(10-7-11-25-21(23)24)26-18(28)15(22)12-14-8-5-4-6-9-14/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
InChIKeyLGBVMDMZZFYSFW-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-Arg-Ile (CHEBI:161296) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoic acid