EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:162745 - Pro-Tyr-Cys

ChEBI IDCHEBI:162745
ChEBI NamePro-Tyr-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H23N3O5S
Net Charge0
Average Mass381.454
Monoisotopic Mass381.13584
SMILESO=C(O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C17H23N3O5S/c21-11-5-3-10(4-6-11)8-13(16(23)20-14(9-26)17(24)25)19-15(22)12-2-1-7-18-12/h3-6,12-14,18,21,26H,1-2,7-9H2,(H,19,22)(H,20,23)(H,24,25)/t12-,13-,14-/m0/s1
InChIKeyBVTYXOFTHDXSNI-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-Cys (CHEBI:162745) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-sulanylpropanoic acid