Compound Identification
SMILES
[Na+].[Na+].CCN1C(C)=C(C(C2=CC=CC=C2Cl)C(C([O-])=O)=C1C([O-])=O)C(=O)OC(C)C
InChIKey
InChIKey=HMSJRRPUSVSTGT-UHFFFAOYSA-L
Formula
C20H20ClNNa2O6
Mass
451.81
Taxonomic Classification
Taxonomy Tree
-
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 Alpha amino acids
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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
Alpha amino acids
Alternative Parents
Tricarboxylic acids and derivatives Dihydropyridinecarboxylic acids and derivatives Chlorobenzenes Aryl chlorides Vinylogous amides Enoate esters Amino acids Trialkylamines Carboxylic acid salts Enamines Carboxylic acids Azacyclic compounds Organic metal halides Organic oxides Organic sodium salts Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid - Tricarboxylic acid or derivatives - Dihydropyridinecarboxylic acid derivative - Chlorobenzene - Dihydropyridine - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Tertiary amine - Carboxylic acid ester - Tertiary aliphatic amine - Carboxylic acid salt - Amino acid - Organic metal halide - Azacycle - Carboxylic acid - Organic alkali metal salt - Organoheterocyclic compound - Enamine - Organic oxide - Organic nitrogen compound - Organic sodium salt - Organic oxygen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic salt - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
External Descriptors
Not available