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CHEBI:159989 - Asn-Met-Trp

Default Structure
ChEBI IDCHEBI:159989
ChEBI NameAsn-Met-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H27N5O5S
Net Charge0
Average Mass449.533
Monoisotopic Mass449.17329
SMILESCSCC[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C20H27N5O5S/c1-31-7-6-15(24-18(27)13(21)9-17(22)26)19(28)25-16(20(29)30)8-11-10-23-14-5-3-2-4-12(11)14/h2-5,10,13,15-16,23H,6-9,21H2,1H3,(H2,22,26)(H,24,27)(H,25,28)(H,29,30)/t13-,15-,16-/m0/s1
InChIKeyLANZYLJEHLBUPR-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)
Asn-Met-Trp (CHEBI:159989) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylsulanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid