Compound Identification
SMILES
CN1C(CC(=O)NC(CC(O)=O)C(O)=O)=CC(C)=C1C(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=SEISQYMYXCDENP-UHFFFAOYSA-N
Formula
C19H19ClN2O6
Mass
406.82
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Aspartic acid and derivatives
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Level 6
Alpha amino acids and derivatives
-
Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Aspartic acid and derivatives
Alternative Parents
N-acyl-alpha amino acids Aryl-phenylketones Benzoyl derivatives Chlorobenzenes N-methylpyrroles Dicarboxylic acids and derivatives Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aspartic acid or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Aryl-phenylketone - Aryl ketone - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Benzenoid - Substituted pyrrole - Dicarboxylic acid or derivatives - Aryl halide - N-methylpyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Carboxamide group - Secondary carboxylic acid amide - Ketone - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aspartic acid and derivatives. These are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available