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CHEBI:164453 - Trp-Arg-Ile

ChEBI IDCHEBI:164453
ChEBI NameTrp-Arg-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H35N7O4
Net Charge0
Average Mass473.578
Monoisotopic Mass473.27505
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C23H35N7O4/c1-3-13(2)19(22(33)34)30-21(32)18(9-6-10-27-23(25)26)29-20(31)16(24)11-14-12-28-17-8-5-4-7-15(14)17/h4-5,7-8,12-13,16,18-19,28H,3,6,9-11,24H2,1-2H3,(H,29,31)(H,30,32)(H,33,34)(H4,25,26,27)/t13-,16-,18-,19-/m0/s1
InChIKeyNXAPHBHZCMQORW-FDARSICLSA-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-Arg-Ile (CHEBI:164453) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoic acid