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CHEBI:162743 - Pro-Tyr-Asp

ChEBI IDCHEBI:162743
ChEBI NamePro-Tyr-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23N3O7
Net Charge0
Average Mass393.396
Monoisotopic Mass393.15360
SMILESO=C(O)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1)C(=O)O
InChIInChI=1S/C18H23N3O7/c22-11-5-3-10(4-6-11)8-13(20-16(25)12-2-1-7-19-12)17(26)21-14(18(27)28)9-15(23)24/h3-6,12-14,19,22H,1-2,7-9H2,(H,20,25)(H,21,26)(H,23,24)(H,27,28)/t12-,13-,14-/m0/s1
InChIKeyCWZUFLWPEFHWEI-IHRRRGAJSA-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-Tyr-Asp (CHEBI:162743) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]butanedioic acid