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CHEBI:160804 - Asp-Phe-His

ChEBI IDCHEBI:160804
ChEBI NameAsp-Phe-His
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23N5O6
Net Charge0
Average Mass417.422
Monoisotopic Mass417.16483
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cncn1)C(=O)O
InChIInChI=1S/C19H23N5O6/c20-13(8-16(25)26)17(27)23-14(6-11-4-2-1-3-5-11)18(28)24-15(19(29)30)7-12-9-21-10-22-12/h1-5,9-10,13-15H,6-8,20H2,(H,21,22)(H,23,27)(H,24,28)(H,25,26)(H,29,30)/t13-,14-,15-/m0/s1
InChIKeyKRQFMDNIUOVRIF-KKUMJFAQSA-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-Phe-His (CHEBI:160804) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid