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CHEBI:161412 - Phe-Cys-Ile

ChEBI IDCHEBI:161412
ChEBI NamePhe-Cys-Ile
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](CS)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H27N3O4S/c1-3-11(2)15(18(24)25)21-17(23)14(10-26)20-16(22)13(19)9-12-7-5-4-6-8-12/h4-8,11,13-15,26H,3,9-10,19H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t11-,13-,14-,15-/m0/s1
InChIKeyCPTJPDZTFNKFOU-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-Cys-Ile (CHEBI:161412) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2R)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-sulanylpropanoyl]amino]-3-methylpentanoic acid