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CHEBI:160861 - Asp-Pro-Trp

ChEBI IDCHEBI:160861
ChEBI NameAsp-Pro-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24N4O6
Net Charge0
Average Mass416.434
Monoisotopic Mass416.16958
SMILESN[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C20H24N4O6/c21-13(9-17(25)26)19(28)24-7-3-6-16(24)18(27)23-15(20(29)30)8-11-10-22-14-5-2-1-4-12(11)14/h1-2,4-5,10,13,15-16,22H,3,6-9,21H2,(H,23,27)(H,25,26)(H,29,30)/t13-,15-,16-/m0/s1
InChIKeySXLCDCZHNCLFGZ-BPUTZDHNSA-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-Pro-Trp (CHEBI:160861) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[(2S)-2-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid