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CHEBI:79309 - β-Ala-Lys-Nε-AMCA

ChEBI IDCHEBI:79309
ChEBI Nameβ-Ala-Lys-Nε-AMCA
Stars
ASCII Namebeta-Ala-Lys-N(epsilon)-AMCA
DefinitionA dipeptide that is β-alanyl-L-lysine in which the amino group at position 6 of the lysine has been acylated by formal condensation with (7-amino-4-methylcoumarin-3-yl)acetic acid. Being fluorescent, it can be used as a reporter molecule for studying the oligopeptide transport system in brain cell cultures.
Last Modified21 July 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC21H28N4O6
Net Charge0
Average Mass432.477
Monoisotopic Mass432.20088
SMILESCc1c(CC(=O)NCCCC[C@H](NC(=O)CCN)C(=O)O)c(=O)oc2cc(N)ccc12
InChIInChI=1S/C21H28N4O6/c1-12-14-6-5-13(23)10-17(14)31-21(30)15(12)11-19(27)24-9-3-2-4-16(20(28)29)25-18(26)7-8-22/h5-6,10,16H,2-4,7-9,11,22-23H2,1H3,(H,24,27)(H,25,26)(H,28,29)/t16-/m0/s1
InChIKeyBXZFTTVQAOLWHY-INIZCTEOSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
fluorescent probe  A role played by a fluorescent molecular entity used to study the microscopic environment by fluorescence spectroscopy.
ChEBI Ontology
Outgoing Relation(s)
β-Ala-Lys-Nε-AMCA (CHEBI:79309) has role fluorescent probe (CHEBI:39442)
β-Ala-Lys-Nε-AMCA (CHEBI:79309) is a 7-aminocoumarins (CHEBI:51769)
β-Ala-Lys-Nε-AMCA (CHEBI:79309) is a dipeptide (CHEBI:46761)
IUPAC Name 
β-alanyl-N6-[(7-amino-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-L-lysine
Synonyms  Source
β-Ala-Lys(AMCA)ChEBI
β-Ala-Lys-N6-AMCAChEBI
Citations