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CHEBI:162164 - Pro-Asp-Phe

Default Structure
ChEBI IDCHEBI:162164
ChEBI NamePro-Asp-Phe
Stars
Last Modified26 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23N3O6
Net Charge0
Average Mass377.397
Monoisotopic Mass377.15869
SMILESO=C(O)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H23N3O6/c22-15(23)10-13(20-16(24)12-7-4-8-19-12)17(25)21-14(18(26)27)9-11-5-2-1-3-6-11/h1-3,5-6,12-14,19H,4,7-10H2,(H,20,24)(H,21,25)(H,22,23)(H,26,27)/t12-,13-,14-/m0/s1
InChIKeyHXOLCSYHGRNXJJ-IHRRRGAJSA-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)
Pro-Asp-Phe (CHEBI:162164) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid