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CHEBI:166412 - Val-Trp-Val

ChEBI IDCHEBI:166412
ChEBI NameVal-Trp-Val
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30N4O4
Net Charge0
Average Mass402.495
Monoisotopic Mass402.22671
SMILESCC(C)[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C21H30N4O4/c1-11(2)17(22)20(27)24-16(19(26)25-18(12(3)4)21(28)29)9-13-10-23-15-8-6-5-7-14(13)15/h5-8,10-12,16-18,23H,9,22H2,1-4H3,(H,24,27)(H,25,26)(H,28,29)/t16-,17-,18-/m0/s1
InChIKeyKJFBXCFOPAKPTM-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)
Val-Trp-Val (CHEBI:166412) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid