CHEBI:48463 - N-(2,6-dichlorobenzoyl)-3-[6-(2,6-dimethoxyphenyl)-2-naphthyl]alanine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-(2,6-dichlorobenzoyl)-3-[6-(2,6-dimethoxyphenyl)-2-naphthyl]alanine
ChEBI ID CHEBI:48463
ChEBI ASCII Name N-(2,6-dichlorobenzoyl)-3-[6-(2,6-dimethoxyphenyl)-2-naphthyl]alanine
Definition An N-acyl amino acid that is N-(2,6-dichlorobenzoyl)alanine in which one of the hydrogens at the β position has been replaced by a N 6-(2,6-dimethoxyphenyl)-2-naphthyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C28H23Cl2NO5
Net Charge 0
Average Mass 524.39200
Monoisotopic Mass 523.09533
InChI InChI=1S/C28H23Cl2NO5/c1-35-23-7-4-8-24(36-2)25(23)19-12-11-17-13-16(9-10-18(17)15-19)14-22(28(33)34)31-27(32)26-20(29)5-3-6-21(26)30/h3-13,15,22H,14H2,1-2H3,(H,31,32)(H,33,34)
InChIKey FAMJWPBIAKZQIJ-UHFFFAOYSA-N
SMILES COc1cccc(OC)c1-c1ccc2cc(CC(NC(=O)c3c(Cl)cccc3Cl)C(O)=O)ccc2c1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-(2,6-dichlorobenzoyl)-3-[6-(2,6-dimethoxyphenyl)-2-naphthyl]alanine (CHEBI:48463) has part 2,6-dichlorobenzoyl group (CHEBI:48625)
N-(2,6-dichlorobenzoyl)-3-[6-(2,6-dimethoxyphenyl)-2-naphthyl]alanine (CHEBI:48463) is a N-acyl-amino acid (CHEBI:51569)
N-(2,6-dichlorobenzoyl)-3-[6-(2,6-dimethoxyphenyl)-2-naphthyl]alanine (CHEBI:48463) is a dichlorobenzene (CHEBI:23697)
N-(2,6-dichlorobenzoyl)-3-[6-(2,6-dimethoxyphenyl)-2-naphthyl]alanine (CHEBI:48463) is a naphthalenes (CHEBI:25477)
N-(2,6-dichlorobenzoyl)-3-[6-(2,6-dimethoxyphenyl)-2-naphthyl]alanine (CHEBI:48463) is a non-proteinogenic amino acid derivative (CHEBI:83812)
IUPAC Name
N-(2,6-dichlorobenzoyl)-3-[6-(2,6-dimethoxyphenyl)naphthalen-2-yl]alanine
Synonym Source
2-[(2,6-dichlorobenzoyl)amino]-3-[6-(2,6-dimethoxyphenyl)-2-naphthyl]propanoic acid Patent
Manual Xref Database
EP1870402 Patent
View more database links
Last Modified
13 April 2015