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CHEBI:162703 - Pro-Trp-Asp

ChEBI IDCHEBI:162703
ChEBI NamePro-Trp-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24N4O6
Net Charge0
Average Mass416.434
Monoisotopic Mass416.16958
SMILESO=C(O)C[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C20H24N4O6/c25-17(26)9-16(20(29)30)24-19(28)15(23-18(27)14-6-3-7-21-14)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
InChIKeyBNUKRHFCHHLIGR-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-Trp-Asp (CHEBI:162703) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanedioic acid