Compound Identification
SMILES
[Na+].[Na+].CC1=NN(C(=O)C1N=NC1=C(C=CC(NC(=O)C(Br)=C)=C1)S([O-])(=O)=O)C1=CC(Cl)=C(C=C1Cl)S([O-])(=O)=O
InChIKey
InChIKey=JVURCOFLRNSPQI-UHFFFAOYSA-L
Formula
C19H12BrCl2N5Na2O8S2
Mass
699.24
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
-
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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Benzenesulfonic acids and derivatives 1-sulfo,2-unsubstituted aromatic compounds Anilides Benzenesulfonyl compounds Dichlorobenzenes N-arylamides Aryl chlorides Pyrazolones Sulfonyls Organosulfonic acids Azo compounds Secondary carboxylic acid amides Organic metal halides Bromoalkenes Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organobromides Hydrocarbon derivatives Organochlorides Carbonyl compounds Organic oxides Organic sodium salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - Anilide - N-arylamide - 1,4-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - Pyrazolinone - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Sulfonyl - Organosulfonic acid or derivatives - Organosulfonic acid - Pyrazoline - Secondary carboxylic acid amide - Azo compound - Carboxamide group - Organic metal halide - Azacycle - Organic alkali metal salt - Bromoalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl bromide - Organochloride - Organobromide - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic salt - Carbonyl group - Organic oxygen compound - Organic sodium salt - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available