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CHEBI:160163 - Asn-Trp-Asp

ChEBI IDCHEBI:160163
ChEBI NameAsn-Trp-Asp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23N5O7
Net Charge0
Average Mass433.421
Monoisotopic Mass433.15975
SMILESNC(=O)C[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O
InChIInChI=1S/C19H23N5O7/c20-11(6-15(21)25)17(28)23-13(18(29)24-14(19(30)31)7-16(26)27)5-9-8-22-12-4-2-1-3-10(9)12/h1-4,8,11,13-14,22H,5-7,20H2,(H2,21,25)(H,23,28)(H,24,29)(H,26,27)(H,30,31)/t11-,13-,14-/m0/s1
InChIKeyBIGRHVNFFJTHEB-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)
Asn-Trp-Asp (CHEBI:160163) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]butanedioic acid