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CHEBI:161568 - Phe-His-His

ChEBI IDCHEBI:161568
ChEBI NamePhe-His-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25N7O4
Net Charge0
Average Mass439.476
Monoisotopic Mass439.19680
SMILESN[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C21H25N7O4/c22-16(6-13-4-2-1-3-5-13)19(29)27-17(7-14-9-23-11-25-14)20(30)28-18(21(31)32)8-15-10-24-12-26-15/h1-5,9-12,16-18H,6-8,22H2,(H,23,25)(H,24,26)(H,27,29)(H,28,30)(H,31,32)/t16-,17-,18-/m0/s1
InChIKeyNAOVYENZCWFBDG-BZSNNMDCSA-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-His-His (CHEBI:161568) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
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