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CHEBI:161180 - Cys-Asn-Trp

ChEBI IDCHEBI:161180
ChEBI NameCys-Asn-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23N5O5S
Net Charge0
Average Mass421.479
Monoisotopic Mass421.14199
SMILESNC(=O)C[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C18H23N5O5S/c19-11(8-29)16(25)22-13(6-15(20)24)17(26)23-14(18(27)28)5-9-7-21-12-4-2-1-3-10(9)12/h1-4,7,11,13-14,21,29H,5-6,8,19H2,(H2,20,24)(H,22,25)(H,23,26)(H,27,28)/t11-,13-,14-/m0/s1
InChIKeyZWNFOZNJYNDNGM-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)
Cys-Asn-Trp (CHEBI:161180) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-4-amino-2-[[(2R)-2-amino-3-sulanylpropanoyl]amino]-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoic acid