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CHEBI:158421 - Ala-Phe-Ile

ChEBI IDCHEBI:158421
ChEBI NameAla-Phe-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H27N3O4
Net Charge0
Average Mass349.431
Monoisotopic Mass349.20016
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C18H27N3O4/c1-4-11(2)15(18(24)25)21-17(23)14(20-16(22)12(3)19)10-13-8-6-5-7-9-13/h5-9,11-12,14-15H,4,10,19H2,1-3H3,(H,20,22)(H,21,23)(H,24,25)/t11-,12-,14-,15-/m0/s1
InChIKeyRUXQNKVQSKOOBS-JURCDPSOSA-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)
Ala-Phe-Ile (CHEBI:158421) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoic acid