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CHEBI:160986 - Asp-Trp-Val

ChEBI IDCHEBI:160986
ChEBI NameAsp-Trp-Val
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N4O6
Net Charge0
Average Mass418.450
Monoisotopic Mass418.18523
SMILESCC(C)[C@H](NC(=O)[C@H](Cc1cnc2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)O
InChIInChI=1S/C20H26N4O6/c1-10(2)17(20(29)30)24-19(28)15(23-18(27)13(21)8-16(25)26)7-11-9-22-14-6-4-3-5-12(11)14/h3-6,9-10,13,15,17,22H,7-8,21H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)(H,29,30)/t13-,15-,17-/m0/s1
InChIKeyKNOGLZBISUBTFW-QRTARXTBSA-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-Val (CHEBI:160986) is a tripeptide (CHEBI:47923)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid