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CHEBI:160814 - Asp-Phe-Phe

ChEBI IDCHEBI:160814
ChEBI NameAsp-Phe-Phe
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25N3O6
Net Charge0
Average Mass427.457
Monoisotopic Mass427.17434
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C22H25N3O6/c23-16(13-19(26)27)20(28)24-17(11-14-7-3-1-4-8-14)21(29)25-18(22(30)31)12-15-9-5-2-6-10-15/h1-10,16-18H,11-13,23H2,(H,24,28)(H,25,29)(H,26,27)(H,30,31)/t16-,17-,18-/m0/s1
InChIKeyUCHSVZYJKJLPHF-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)
Asp-Phe-Phe (CHEBI:160814) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
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