EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:166324 - Val-Phe-Ile

ChEBI IDCHEBI:166324
ChEBI NameVal-Phe-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31N3O4
Net Charge0
Average Mass377.485
Monoisotopic Mass377.23146
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)C(C)C)C(=O)O
InChIInChI=1S/C20H31N3O4/c1-5-13(4)17(20(26)27)23-18(24)15(11-14-9-7-6-8-10-14)22-19(25)16(21)12(2)3/h6-10,12-13,15-17H,5,11,21H2,1-4H3,(H,22,25)(H,23,24)(H,26,27)/t13-,15-,16-,17-/m0/s1
InChIKeyFMQGYTMERWBMSI-HJWJTTGWSA-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)
Val-Phe-Ile (CHEBI:166324) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoic acid