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CHEBI:164571 - Trp-Cys-Ile

ChEBI IDCHEBI:164571
ChEBI NameTrp-Cys-Ile
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28N4O4S
Net Charge0
Average Mass420.535
Monoisotopic Mass420.18313
SMILESCC[C@H](C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C20H28N4O4S/c1-3-11(2)17(20(27)28)24-19(26)16(10-29)23-18(25)14(21)8-12-9-22-15-7-5-4-6-13(12)15/h4-7,9,11,14,16-17,22,29H,3,8,10,21H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)/t11-,14-,16-,17-/m0/s1
InChIKeyOQMQBYOEAHVCGD-GQGQLFGLSA-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)
Trp-Cys-Ile (CHEBI:164571) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S,3S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-sulanylpropanoyl]amino]-3-methylpentanoic acid