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CHEBI:160623 - Asp-His-Trp

ChEBI IDCHEBI:160623
ChEBI NameAsp-His-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24N6O6
Net Charge0
Average Mass456.459
Monoisotopic Mass456.17573
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C21H24N6O6/c22-14(7-18(28)29)19(30)26-16(6-12-9-23-10-25-12)20(31)27-17(21(32)33)5-11-8-24-15-4-2-1-3-13(11)15/h1-4,8-10,14,16-17,24H,5-7,22H2,(H,23,25)(H,26,30)(H,27,31)(H,28,29)(H,32,33)/t14-,16-,17-/m0/s1
InChIKeyOOXKFYNWRVGYFM-XIRDDKMYSA-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-His-Trp (CHEBI:160623) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid