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CHEBI:166044 - Tyr-Val-Ile

Default Structure
ChEBI IDCHEBI:166044
ChEBI NameTyr-Val-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H31N3O5
Net Charge0
Average Mass393.484
Monoisotopic Mass393.22637
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O
InChIInChI=1S/C20H31N3O5/c1-5-12(4)17(20(27)28)23-19(26)16(11(2)3)22-18(25)15(21)10-13-6-8-14(24)9-7-13/h6-9,11-12,15-17,24H,5,10,21H2,1-4H3,(H,22,25)(H,23,26)(H,27,28)/t12-,15-,16-,17-/m0/s1
InChIKeyVKYDVKAKGDNZED-STECZYCISA-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)
Tyr-Val-Ile (CHEBI:166044) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid