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CHEBI:159950 - Asn-Lys-Trp

ChEBI IDCHEBI:159950
ChEBI NameAsn-Lys-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H30N6O5
Net Charge0
Average Mass446.508
Monoisotopic Mass446.22777
SMILESNCCCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C21H30N6O5/c22-8-4-3-7-16(26-19(29)14(23)10-18(24)28)20(30)27-17(21(31)32)9-12-11-25-15-6-2-1-5-13(12)15/h1-2,5-6,11,14,16-17,25H,3-4,7-10,22-23H2,(H2,24,28)(H,26,29)(H,27,30)(H,31,32)/t14-,16-,17-/m0/s1
InChIKeyXFJKRRCWLTZIQA-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)
Asn-Lys-Trp (CHEBI:159950) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoic acid