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CHEBI:158282 - Ile-Asp-Trp

ChEBI IDCHEBI:158282
ChEBI NameIle-Asp-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28N4O6
Net Charge0
Average Mass432.477
Monoisotopic Mass432.20088
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C21H28N4O6/c1-3-11(2)18(22)20(29)24-15(9-17(26)27)19(28)25-16(21(30)31)8-12-10-23-14-7-5-4-6-13(12)14/h4-7,10-11,15-16,18,23H,3,8-9,22H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)(H,30,31)/t11-,15-,16-,18-/m0/s1
InChIKeyREJKOQYVFDEZHA-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-Asp-Trp (CHEBI:158282) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoic acid