CHEBI:48475 - methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate

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ChEBI Name methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate
ChEBI ID CHEBI:48475
ChEBI ASCII Name methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate
Definition An alanine derivative that is methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate in which one of the hydrogens attached to the primary amino group is replaced by a 2,6-dichlorobenzyl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C26H20Cl4N2O2
Net Charge 0
Average Mass 534.26100
Monoisotopic Mass 532.02789
InChI InChI=1S/C26H20Cl4N2O2/c1-34-26(33)24(31-14-17-18(27)4-2-5-19(17)28)13-15-8-10-22-16(12-15)9-11-23(32-22)25-20(29)6-3-7-21(25)30/h2-12,24,31H,13-14H2,1H3
InChIKey PWAIQNUMCYWKDB-UHFFFAOYSA-N
SMILES COC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)NCc1c(Cl)cccc1Cl
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48475) has functional parent methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate (CHEBI:48473)
methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48475) is a α-amino acid ester (CHEBI:46874)
methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48475) is a dichlorobenzene (CHEBI:23697)
methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48475) is a non-proteinogenic amino acid derivative (CHEBI:83812)
methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48475) is a quinolines (CHEBI:26513)
methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate (CHEBI:48475) is a secondary amino compound (CHEBI:50995)
IUPAC Name
methyl N-(2,6-dichlorobenzyl)-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate
Synonym Source
methyl 2-[(2,6-dichlorobenzyl)amino]-3-[2-(2,6-dichlorophenyl)-6-quinolinyl]propanoate Patent
Manual Xref Database
EP1870402 Patent
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Last Modified
13 April 2015