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CHEBI:162172 - Pro-Asp-Trp

ChEBI IDCHEBI:162172
ChEBI NamePro-Asp-Trp
Stars
Last Modified26 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24N4O6
Net Charge0
Average Mass416.434
Monoisotopic Mass416.16958
SMILESO=C(O)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C20H24N4O6/c25-17(26)9-15(23-18(27)14-6-3-7-21-14)19(28)24-16(20(29)30)8-11-10-22-13-5-2-1-4-12(11)13/h1-2,4-5,10,14-16,21-22H,3,6-9H2,(H,23,27)(H,24,28)(H,25,26)(H,29,30)/t14-,15-,16-/m0/s1
InChIKeyZYBUKTMPPFQSHL-JYJNAYRXSA-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-Asp-Trp (CHEBI:162172) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-4-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid