EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:161600 - Phe-Ile-Cys

ChEBI IDCHEBI:161600
ChEBI NamePhe-Ile-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H27N3O4S
Net Charge0
Average Mass381.498
Monoisotopic Mass381.17223
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C18H27N3O4S/c1-3-11(2)15(17(23)20-14(10-26)18(24)25)21-16(22)13(19)9-12-7-5-4-6-8-12/h4-8,11,13-15,26H,3,9-10,19H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)/t11-,13-,14-,15-/m0/s1
InChIKeyRGZYXNFHYRFNNS-MXAVVETBSA-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)
Phe-Ile-Cys (CHEBI:161600) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-2-[[(2S,3S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-sulanylpropanoic acid