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CHEBI:160161 - Asn-Trp-Asn

ChEBI IDCHEBI:160161
ChEBI NameAsn-Trp-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24N6O6
Net Charge0
Average Mass432.437
Monoisotopic Mass432.17573
SMILESNC(=O)C[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C19H24N6O6/c20-11(6-15(21)26)17(28)24-13(18(29)25-14(19(30)31)7-16(22)27)5-9-8-23-12-4-2-1-3-10(9)12/h1-4,8,11,13-14,23H,5-7,20H2,(H2,21,26)(H2,22,27)(H,24,28)(H,25,29)(H,30,31)/t11-,13-,14-/m0/s1
InChIKeyQTKYFZCMSQLYHI-UBHSHLNASA-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-Trp-Asn (CHEBI:160161) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid