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CHEBI:161607 - Phe-Ile-His

ChEBI IDCHEBI:161607
ChEBI NamePhe-Ile-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29N5O4
Net Charge0
Average Mass415.494
Monoisotopic Mass415.22195
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C21H29N5O4/c1-3-13(2)18(26-19(27)16(22)9-14-7-5-4-6-8-14)20(28)25-17(21(29)30)10-15-11-23-12-24-15/h4-8,11-13,16-18H,3,9-10,22H2,1-2H3,(H,23,24)(H,25,28)(H,26,27)(H,29,30)/t13-,16-,17-,18-/m0/s1
InChIKeyHTXVATDVCRFORF-MGHWNKPDSA-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-His (CHEBI:161607) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid