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CHEBI:158847 - Ile-Trp-Val

ChEBI IDCHEBI:158847
ChEBI NameIle-Trp-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32N4O4
Net Charge0
Average Mass416.522
Monoisotopic Mass416.24236
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C22H32N4O4/c1-5-13(4)18(23)21(28)25-17(20(27)26-19(12(2)3)22(29)30)10-14-11-24-16-9-7-6-8-15(14)16/h6-9,11-13,17-19,24H,5,10,23H2,1-4H3,(H,25,28)(H,26,27)(H,29,30)/t13-,17-,18-,19-/m0/s1
InChIKeyMGUTVMBNOMJLKC-VKOGCVSHSA-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)
Ile-Trp-Val (CHEBI:158847) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid