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CHEBI:166394 - Val-Trp-Arg

ChEBI IDCHEBI:166394
ChEBI NameVal-Trp-Arg
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](Cc1cnc2ccccc12)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
InChIInChI=1S/C22H33N7O4/c1-12(2)18(23)20(31)29-17(10-13-11-27-15-7-4-3-6-14(13)15)19(30)28-16(21(32)33)8-5-9-26-22(24)25/h3-4,6-7,11-12,16-18,27H,5,8-10,23H2,1-2H3,(H,28,30)(H,29,31)(H,32,33)(H4,24,25,26)/t16-,17-,18-/m0/s1
InChIKeyHVRRJRMULCPNRO-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-Trp-Arg (CHEBI:166394) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
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