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CHEBI:161060 - Asp-Val-Trp

ChEBI IDCHEBI:161060
ChEBI NameAsp-Val-Trp
Stars
Last Modified20 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H26N4O6
Net Charge0
Average Mass418.450
Monoisotopic Mass418.18523
SMILESCC(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)O
InChIInChI=1S/C20H26N4O6/c1-10(2)17(24-18(27)13(21)8-16(25)26)19(28)23-15(20(29)30)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,23,28)(H,24,27)(H,25,26)(H,29,30)/t13-,15-,17-/m0/s1
InChIKeyGYNUXDMCDILYIQ-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-Val-Trp (CHEBI:161060) is a tripeptide (CHEBI:47923)
IUPAC Name 
(3S)-3-amino-4-[[(2S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid