EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:162735 - Pro-Trp-Val

ChEBI IDCHEBI:162735
ChEBI NamePro-Trp-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28N4O4
Net Charge0
Average Mass400.479
Monoisotopic Mass400.21106
SMILESCC(C)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C21H28N4O4/c1-12(2)18(21(28)29)25-20(27)17(24-19(26)16-8-5-9-22-16)10-13-11-23-15-7-4-3-6-14(13)15/h3-4,6-7,11-12,16-18,22-23H,5,8-10H2,1-2H3,(H,24,26)(H,25,27)(H,28,29)/t16-,17-,18-/m0/s1
InChIKeyHOJUNFDJDAPVBI-BZSNNMDCSA-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)
Pro-Trp-Val (CHEBI:162735) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoic acid