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CHEBI:158813 - Ile-Trp-Asn

ChEBI IDCHEBI:158813
ChEBI NameIle-Trp-Asn
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29N5O5
Net Charge0
Average Mass431.493
Monoisotopic Mass431.21687
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C21H29N5O5/c1-3-11(2)18(23)20(29)25-15(19(28)26-16(21(30)31)9-17(22)27)8-12-10-24-14-7-5-4-6-13(12)14/h4-7,10-11,15-16,18,24H,3,8-9,23H2,1-2H3,(H2,22,27)(H,25,29)(H,26,28)(H,30,31)/t11-,15-,16-,18-/m0/s1
InChIKeyBZUOLKFQVVBTJY-SLBDDTMCSA-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)
Ile-Trp-Asn (CHEBI:158813) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid