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CHEBI:160742 - Asp-Lys-Trp

ChEBI IDCHEBI:160742
ChEBI NameAsp-Lys-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29N5O6
Net Charge0
Average Mass447.492
Monoisotopic Mass447.21178
SMILESNCCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C21H29N5O6/c22-8-4-3-7-16(25-19(29)14(23)10-18(27)28)20(30)26-17(21(31)32)9-12-11-24-15-6-2-1-5-13(12)15/h1-2,5-6,11,14,16-17,24H,3-4,7-10,22-23H2,(H,25,29)(H,26,30)(H,27,28)(H,31,32)/t14-,16-,17-/m0/s1
InChIKeyZXRQJQCXPSMNMR-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-Lys-Trp (CHEBI:160742) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid