Compound Identification
SMILES
[Na+].[Na+].CC1=NN(C(=O)C1N=NC1=CC=C(NC2=C(Cl)C(F)=NC(F)=N2)C=C1)C1=C(C=CC(=C1)S([O-])(=O)=O)S([O-])(=O)=O
InChIKey
InChIKey=NGHBKVPQCGDWEU-UHFFFAOYSA-L
Formula
C20H12ClF2N7Na2O7S2
Mass
645.9
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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Subclass
Amino acids, peptides, and analogues
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Class
Carboxylic acids and derivatives
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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 Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds Aniline and substituted anilines 2-halopyrimidines Aminopyrimidines and derivatives Pyrazolones Aryl fluorides Imidolactams Aryl chlorides Sulfonyls Heteroaromatic compounds Organosulfonic acids Azo compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Organic metal halides Organofluorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organochlorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzenesulfonate - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Aniline or substituted anilines - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Monocyclic benzene moiety - Pyrazolinone - Aryl halide - Pyrimidine - Imidolactam - Aryl fluoride - Aryl chloride - Benzenoid - Heteroaromatic compound - Pyrazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azo compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Secondary amine - Organoheterocyclic compound - Organic metal halide - Azacycle - Organic alkali metal salt - Organic oxygen compound - Organic salt - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic sodium salt - Organic oxide - 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