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CHEBI:164722 - Trp-Ile-Ile

Default Structure
ChEBI IDCHEBI:164722
ChEBI NameTrp-Ile-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H34N4O4
Net Charge0
Average Mass430.549
Monoisotopic Mass430.25801
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1cnc2ccccc12)[C@@H](C)CC)C(=O)O
InChIInChI=1S/C23H34N4O4/c1-5-13(3)19(22(29)27-20(23(30)31)14(4)6-2)26-21(28)17(24)11-15-12-25-18-10-8-7-9-16(15)18/h7-10,12-14,17,19-20,25H,5-6,11,24H2,1-4H3,(H,26,28)(H,27,29)(H,30,31)/t13-,14-,17-,19-,20-/m0/s1
InChIKeyLDMUNXDDIDAPJH-VMBFOHBNSA-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)
Trp-Ile-Ile (CHEBI:164722) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoic acid