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CHEBI:160965 - Asp-Trp-Ile

ChEBI IDCHEBI:160965
ChEBI NameAsp-Trp-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28N4O6
Net Charge0
Average Mass432.477
Monoisotopic Mass432.20088
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C21H28N4O6/c1-3-11(2)18(21(30)31)25-20(29)16(24-19(28)14(22)9-17(26)27)8-12-10-23-15-7-5-4-6-13(12)15/h4-7,10-11,14,16,18,23H,3,8-9,22H2,1-2H3,(H,24,28)(H,25,29)(H,26,27)(H,30,31)/t11-,14-,16-,18-/m0/s1
InChIKeyKACWACLNYLSVCA-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)
Asp-Trp-Ile (CHEBI:160965) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid