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CHEBI:160471 - Asp-Cys-Trp

ChEBI IDCHEBI:160471
ChEBI NameAsp-Cys-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22N4O6S
Net Charge0
Average Mass422.463
Monoisotopic Mass422.12601
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C18H22N4O6S/c19-11(6-15(23)24)16(25)22-14(8-29)17(26)21-13(18(27)28)5-9-7-20-12-4-2-1-3-10(9)12/h1-4,7,11,13-14,20,29H,5-6,8,19H2,(H,21,26)(H,22,25)(H,23,24)(H,27,28)/t11-,13-,14-/m0/s1
InChIKeyNZJDBCYBYCUEDC-UBHSHLNASA-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)
Asp-Cys-Trp (CHEBI:160471) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2R)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-1-oxo-3-sulanylpropan-2-yl]amino]-4-oxobutanoic acid