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CHEBI:161013 - Asp-Tyr-Phe

ChEBI IDCHEBI:161013
ChEBI NameAsp-Tyr-Phe
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25N3O7
Net Charge0
Average Mass443.456
Monoisotopic Mass443.16925
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C22H25N3O7/c23-16(12-19(27)28)20(29)24-17(10-14-6-8-15(26)9-7-14)21(30)25-18(22(31)32)11-13-4-2-1-3-5-13/h1-9,16-18,26H,10-12,23H2,(H,24,29)(H,25,30)(H,27,28)(H,31,32)/t16-,17-,18-/m0/s1
InChIKeySQIARYGNVQWOSB-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)
Asp-Tyr-Phe (CHEBI:161013) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid