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CHEBI:159376 - Arg-Trp-Ile

ChEBI IDCHEBI:159376
ChEBI NameArg-Trp-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](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)O
InChIInChI=1S/C23H35N7O4/c1-3-13(2)19(22(33)34)30-21(32)18(11-14-12-28-17-9-5-4-7-15(14)17)29-20(31)16(24)8-6-10-27-23(25)26/h4-5,7,9,12-13,16,18-19,28H,3,6,8,10-11,24H2,1-2H3,(H,29,31)(H,30,32)(H,33,34)(H4,25,26,27)/t13-,16-,18-,19-/m0/s1
InChIKeyPOZKLUIXMHIULG-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)
Arg-Trp-Ile (CHEBI:159376) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid