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CHEBI:160191 - Asn-Trp-Trp

Default Structure
ChEBI IDCHEBI:160191
ChEBI NameAsn-Trp-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28N6O5
Net Charge0
Average Mass504.547
Monoisotopic Mass504.21212
SMILESNC(=O)C[C@H](N)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C26H28N6O5/c27-18(11-23(28)33)24(34)31-21(9-14-12-29-19-7-3-1-5-16(14)19)25(35)32-22(26(36)37)10-15-13-30-20-8-4-2-6-17(15)20/h1-8,12-13,18,21-22,29-30H,9-11,27H2,(H2,28,33)(H,31,34)(H,32,35)(H,36,37)/t18-,21-,22-/m0/s1
InChIKeyIPAQILGYEQFCFO-NYVOZVTQSA-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-Trp (CHEBI:160191) 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]-3-(1H-indol-3-yl)propanoic acid