EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161984 - Phe-Val-Arg

ChEBI IDCHEBI:161984
ChEBI NamePhe-Val-Arg
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32N6O4
Net Charge0
Average Mass420.514
Monoisotopic Mass420.24850
SMILESCC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C20H32N6O4/c1-12(2)16(26-17(27)14(21)11-13-7-4-3-5-8-13)18(28)25-15(19(29)30)9-6-10-24-20(22)23/h3-5,7-8,12,14-16H,6,9-11,21H2,1-2H3,(H,25,28)(H,26,27)(H,29,30)(H4,22,23,24)/t14-,15-,16-/m0/s1
InChIKeyGLUYKHMBGKQBHE-JYJNAYRXSA-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-Val-Arg (CHEBI:161984) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Manual XrefsDatabases
8517551ChemSpider