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CHEBI:166091 - Val-Arg-Trp

Default Structure
ChEBI IDCHEBI:166091
ChEBI NameVal-Arg-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H33N7O4
Net Charge0
Average Mass459.551
Monoisotopic Mass459.25940
SMILESCC(C)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C22H33N7O4/c1-12(2)18(23)20(31)28-16(8-5-9-26-22(24)25)19(30)29-17(21(32)33)10-13-11-27-15-7-4-3-6-14(13)15/h3-4,6-7,11-12,16-18,27H,5,8-10,23H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)(H4,24,25,26)/t16-,17-,18-/m0/s1
InChIKeyCWOSXNKDOACNJN-BZSNNMDCSA-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)
Val-Arg-Trp (CHEBI:166091) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid