EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:159402 - Leu-Met-Trp

ChEBI IDCHEBI:159402
ChEBI NameLeu-Met-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32N4O4S
Net Charge0
Average Mass448.589
Monoisotopic Mass448.21443
SMILESCSCC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C22H32N4O4S/c1-13(2)10-16(23)20(27)25-18(8-9-31-3)21(28)26-19(22(29)30)11-14-12-24-17-7-5-4-6-15(14)17/h4-7,12-13,16,18-19,24H,8-11,23H2,1-3H3,(H,25,27)(H,26,28)(H,29,30)/t16-,18-,19-/m0/s1
InChIKeyGSSMYQHXZNERFX-WDSOQIARSA-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)
Leu-Met-Trp (CHEBI:159402) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid