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CHEBI:160656 - Asp-Ile-Phe

ChEBI IDCHEBI:160656
ChEBI NameAsp-Ile-Phe
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H27N3O6
Net Charge0
Average Mass393.440
Monoisotopic Mass393.18999
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C19H27N3O6/c1-3-11(2)16(22-17(25)13(20)10-15(23)24)18(26)21-14(19(27)28)9-12-7-5-4-6-8-12/h4-8,11,13-14,16H,3,9-10,20H2,1-2H3,(H,21,26)(H,22,25)(H,23,24)(H,27,28)/t11-,13-,14-,16-/m0/s1
InChIKeyPYXXJFRXIYAESU-PCBIJLKTSA-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-Ile-Phe (CHEBI:160656) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S,3S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid