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CHEBI:160014 - Asn-Phe-Ile

ChEBI IDCHEBI:160014
ChEBI NameAsn-Phe-Ile
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](Cc1ccccc1)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C19H28N4O5/c1-3-11(2)16(19(27)28)23-18(26)14(9-12-7-5-4-6-8-12)22-17(25)13(20)10-15(21)24/h4-8,11,13-14,16H,3,9-10,20H2,1-2H3,(H2,21,24)(H,22,25)(H,23,26)(H,27,28)/t11-,13-,14-,16-/m0/s1
InChIKeyMVXJBVVLACEGCG-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)
Asn-Phe-Ile (CHEBI:160014) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoic acid