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CHEBI:158579 - Ala-Trp-Ile

ChEBI IDCHEBI:158579
ChEBI NameAla-Trp-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28N4O4
Net Charge0
Average Mass388.468
Monoisotopic Mass388.21106
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@H](C)N)C(=O)O
InChIInChI=1S/C20H28N4O4/c1-4-11(2)17(20(27)28)24-19(26)16(23-18(25)12(3)21)9-13-10-22-15-8-6-5-7-14(13)15/h5-8,10-12,16-17,22H,4,9,21H2,1-3H3,(H,23,25)(H,24,26)(H,27,28)/t11-,12-,16-,17-/m0/s1
InChIKeyWZGZDOXCDLLTHE-SYWGBEHUSA-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)
Ala-Trp-Ile (CHEBI:158579) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid
Manual XrefsDatabases
18501977ChemSpider