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CHEBI:160854 - Asp-Pro-Phe

ChEBI IDCHEBI:160854
ChEBI NameAsp-Pro-Phe
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23N3O6
Net Charge0
Average Mass377.397
Monoisotopic Mass377.15869
SMILESN[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H23N3O6/c19-12(10-15(22)23)17(25)21-8-4-7-14(21)16(24)20-13(18(26)27)9-11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10,19H2,(H,20,24)(H,22,23)(H,26,27)/t12-,13-,14-/m0/s1
InChIKeyXUVTWGPERWIERB-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)
Asp-Pro-Phe (CHEBI:160854) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid