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CHEBI:162014 - Phe-Val-Trp

ChEBI IDCHEBI:162014
ChEBI NamePhe-Val-Trp
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Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30N4O4
Net Charge0
Average Mass450.539
Monoisotopic Mass450.22671
SMILESCC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C25H30N4O4/c1-15(2)22(29-23(30)19(26)12-16-8-4-3-5-9-16)24(31)28-21(25(32)33)13-17-14-27-20-11-7-6-10-18(17)20/h3-11,14-15,19,21-22,27H,12-13,26H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)/t19-,21-,22-/m0/s1
InChIKeyXBCOOBCTVMMQSC-BVSLBCMMSA-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-Val-Trp (CHEBI:162014) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid