EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:48478 - N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]-N-methylalanine

ChEBI IDCHEBI:48478
ChEBI NameN-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]-N-methylalanine
Stars
ASCII NameN-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]-N-methylalanine
DefinitionAn alanine derivative that is alanine substituted by a methyl and a 2,6-dichlorobenzyl group at N and a 2-(2,6-dichlorophenyl)-6-quinolyl group at position 3.
Last Modified13 April 2015
Submitterhcourrier
DownloadsMolfile
FormulaC26H20Cl4N2O2
Net Charge0
Average Mass534.270
Monoisotopic Mass532.02789
SMILESCN(Cc1c(Cl)cccc1Cl)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)O
InChIInChI=1S/C26H20Cl4N2O2/c1-32(14-17-18(27)4-2-5-19(17)28)24(26(33)34)13-15-8-10-22-16(12-15)9-11-23(31-22)25-20(29)6-3-7-21(25)30/h2-12,24H,13-14H2,1H3,(H,33,34)
InChIKeyIVEINQKPLREIIP-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]-N-methylalanine (CHEBI:48478) has part 2,6-dichlorobenzoyl group (CHEBI:48625)
N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]-N-methylalanine (CHEBI:48478) is a dichlorobenzene (CHEBI:23697)
N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]-N-methylalanine (CHEBI:48478) is a non-proteinogenic α-amino acid (CHEBI:83925)
N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]-N-methylalanine (CHEBI:48478) is a quinolines (CHEBI:26513)
N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]-N-methylalanine (CHEBI:48478) is a tertiary amino compound (CHEBI:50996)
Incoming Relation(s)
methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]-N-methylalaninate (CHEBI:48477) has functional parent N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]-N-methylalanine (CHEBI:48478)
IUPAC Name 
N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-N-methylalanine
Synonym  Source
2-[(2,6-dichlorobenzyl)(methyl)amino]-3-[2-(2,6-dichlorophenyl)-6-quinolinyl]propanoic acidPatent
Manual XrefsDatabases
EP1870402Patent