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CHEBI:158085 - His-Tyr-Val

Default Structure
ChEBI IDCHEBI:158085
ChEBI NameHis-Tyr-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N5O5
Net Charge0
Average Mass417.466
Monoisotopic Mass417.20122
SMILESCC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1cncn1)C(=O)O
InChIInChI=1S/C20H27N5O5/c1-11(2)17(20(29)30)25-19(28)16(7-12-3-5-14(26)6-4-12)24-18(27)15(21)8-13-9-22-10-23-13/h3-6,9-11,15-17,26H,7-8,21H2,1-2H3,(H,22,23)(H,24,27)(H,25,28)(H,29,30)/t15-,16-,17-/m0/s1
InChIKeyBCSGDNGNHKBRRJ-ULQDDVLXSA-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)
His-Tyr-Val (CHEBI:158085) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoic acid