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CHEBI:158817 - Ile-Trp-Cys

ChEBI IDCHEBI:158817
ChEBI NameIle-Trp-Cys
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28N4O4S
Net Charge0
Average Mass420.535
Monoisotopic Mass420.18313
SMILESCC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CS)C(=O)O
InChIInChI=1S/C20H28N4O4S/c1-3-11(2)17(21)19(26)23-15(18(25)24-16(10-29)20(27)28)8-12-9-22-14-7-5-4-6-13(12)14/h4-7,9,11,15-17,22,29H,3,8,10,21H2,1-2H3,(H,23,26)(H,24,25)(H,27,28)/t11-,15-,16-,17-/m0/s1
InChIKeyCZOAJJGXTGUYOJ-SPOWBLRKSA-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)
Ile-Trp-Cys (CHEBI:158817) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2R)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-sulanylpropanoic acid