EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161846 - Cys-Val-Phe

ChEBI IDCHEBI:161846
ChEBI NameCys-Val-Phe
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H25N3O4S
Net Charge0
Average Mass367.471
Monoisotopic Mass367.15658
SMILESCC(C)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H25N3O4S/c1-10(2)14(20-15(21)12(18)9-25)16(22)19-13(17(23)24)8-11-6-4-3-5-7-11/h3-7,10,12-14,25H,8-9,18H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t12-,13-,14-/m0/s1
InChIKeyZXGDAZLSOSYSBA-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)
Cys-Val-Phe (CHEBI:161846) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid