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CHEBI:160805 - Asp-Phe-Ile

ChEBI IDCHEBI:160805
ChEBI NameAsp-Phe-Ile
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](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C19H27N3O6/c1-3-11(2)16(19(27)28)22-18(26)14(9-12-7-5-4-6-8-12)21-17(25)13(20)10-15(23)24/h4-8,11,13-14,16H,3,9-10,20H2,1-2H3,(H,21,25)(H,22,26)(H,23,24)(H,27,28)/t11-,13-,14-,16-/m0/s1
InChIKeyPCJOFZYFFMBZKC-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-Phe-Ile (CHEBI:160805) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoic acid