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CHEBI:161161 - Met-Trp-Val

ChEBI IDCHEBI:161161
ChEBI NameMet-Trp-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30N4O4S
Net Charge0
Average Mass434.562
Monoisotopic Mass434.19878
SMILESCSCC[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@H](C(=O)O)C(C)C
InChIInChI=1S/C21H30N4O4S/c1-12(2)18(21(28)29)25-20(27)17(24-19(26)15(22)8-9-30-3)10-13-11-23-16-7-5-4-6-14(13)16/h4-7,11-12,15,17-18,23H,8-10,22H2,1-3H3,(H,24,26)(H,25,27)(H,28,29)/t15-,17-,18-/m0/s1
InChIKeyUXJHNUBJSQQIOC-SZMVWBNQSA-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)
Met-Trp-Val (CHEBI:161161) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid