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CHEBI:161922 - Phe-Trp-Ile

ChEBI IDCHEBI:161922
ChEBI NamePhe-Trp-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32N4O4
Net Charge0
Average Mass464.566
Monoisotopic Mass464.24236
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C26H32N4O4/c1-3-16(2)23(26(33)34)30-25(32)22(14-18-15-28-21-12-8-7-11-19(18)21)29-24(31)20(27)13-17-9-5-4-6-10-17/h4-12,15-16,20,22-23,28H,3,13-14,27H2,1-2H3,(H,29,31)(H,30,32)(H,33,34)/t16-,20-,22-,23-/m0/s1
InChIKeyYCEWAVIRWNGGSS-NQCBNZPSSA-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)
Phe-Trp-Ile (CHEBI:161922) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoic acid