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CHEBI:162811 - Pro-Val-Trp

ChEBI IDCHEBI:162811
ChEBI NamePro-Val-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28N4O4
Net Charge0
Average Mass400.479
Monoisotopic Mass400.21106
SMILESCC(C)[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C21H28N4O4/c1-12(2)18(25-19(26)16-8-5-9-22-16)20(27)24-17(21(28)29)10-13-11-23-15-7-4-3-6-14(13)15/h3-4,6-7,11-12,16-18,22-23H,5,8-10H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/t16-,17-,18-/m0/s1
InChIKeyMTMJNKFZDQEVSY-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)
Pro-Val-Trp (CHEBI:162811) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]propanoic acid