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CHEBI:160175 - Asn-Trp-Ile

Default Structure
ChEBI IDCHEBI:160175
ChEBI NameAsn-Trp-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H29N5O5
Net Charge0
Average Mass431.493
Monoisotopic Mass431.21687
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CC(N)=O)C(=O)O
InChIInChI=1S/C21H29N5O5/c1-3-11(2)18(21(30)31)26-20(29)16(25-19(28)14(22)9-17(23)27)8-12-10-24-15-7-5-4-6-13(12)15/h4-7,10-11,14,16,18,24H,3,8-9,22H2,1-2H3,(H2,23,27)(H,25,28)(H,26,29)(H,30,31)/t11-,14-,16-,18-/m0/s1
InChIKeyUPAGTDJAORYMEC-VHWLVUOQSA-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-Ile (CHEBI:160175) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid