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CHEBI:160982 - Asp-Trp-Trp

Default Structure
ChEBI IDCHEBI:160982
ChEBI NameAsp-Trp-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H27N5O6
Net Charge0
Average Mass505.531
Monoisotopic Mass505.19613
SMILESN[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C26H27N5O6/c27-18(11-23(32)33)24(34)30-21(9-14-12-28-19-7-3-1-5-16(14)19)25(35)31-22(26(36)37)10-15-13-29-20-8-4-2-6-17(15)20/h1-8,12-13,18,21-22,28-29H,9-11,27H2,(H,30,34)(H,31,35)(H,32,33)(H,36,37)/t18-,21-,22-/m0/s1
InChIKeyRCGVPVZHKAXDPA-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)
Asp-Trp-Trp (CHEBI:160982) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid