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CHEBI:162729 - Pro-Trp-Thr

ChEBI IDCHEBI:162729
ChEBI NamePro-Trp-Thr
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N4O5
Net Charge0
Average Mass402.451
Monoisotopic Mass402.19032
SMILESC[C@@H](O)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C20H26N4O5/c1-11(25)17(20(28)29)24-19(27)16(23-18(26)15-7-4-8-21-15)9-12-10-22-14-6-3-2-5-13(12)14/h2-3,5-6,10-11,15-17,21-22,25H,4,7-9H2,1H3,(H,23,26)(H,24,27)(H,28,29)/t11-,15+,16+,17+/m1/s1
InChIKeyVBZXFFYOBDLLFE-HSHDSVGOSA-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-Thr (CHEBI:162729) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3R)-3-hydroxy-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanoic acid
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