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CHEBI:161596 - Phe-Ile-Asn

Default Structure
ChEBI IDCHEBI:161596
ChEBI NamePhe-Ile-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H28N4O5
Net Charge0
Average Mass392.456
Monoisotopic Mass392.20597
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C19H28N4O5/c1-3-11(2)16(18(26)22-14(19(27)28)10-15(21)24)23-17(25)13(20)9-12-7-5-4-6-8-12/h4-8,11,13-14,16H,3,9-10,20H2,1-2H3,(H2,21,24)(H,22,26)(H,23,25)(H,27,28)/t11-,13-,14-,16-/m0/s1
InChIKeyWKTSCAXSYITIJJ-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)
Phe-Ile-Asn (CHEBI:161596) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid