Compound Identification
SMILES
[Na+].[Na+].[Na+].[Na+].CC1=C(Cl)C(NC2=CC(N=NC3C(=O)N(N=C3C([O-])=O)C3=C(C=CC(=C3)S([O-])(=O)=O)S([O-])(=O)=O)=C(C=C2)S([O-])(=O)=O)=NC(F)=N1
InChIKey
InChIKey=KIIXPAIWMJQRPR-UHFFFAOYSA-J
Formula
C21H11ClFN7Na4O12S3
Mass
795.94
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Aniline and substituted anilines 2-halopyrimidines Aminopyrimidines and derivatives Pyrazolones Aryl chlorides Aryl fluorides Imidolactams Sulfonyls Organosulfonic acids Heteroaromatic compounds Amino acids Azo compounds Carboxylic acid salts Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic metal halides Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organochlorides Organic sodium salts Hydrocarbon derivatives Carbonyl compounds Organic oxides 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 - Aryl chloride - Aryl fluoride - Pyrimidine - Benzenoid - Pyrazolinone - Imidolactam - Aryl halide - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Pyrazoline - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Amino acid - Carboxylic acid salt - Azo compound - Organic metal halide - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organohalogen compound - Organic oxide - Organic salt - Organic nitrogen compound - Carbonyl group - Organic sodium salt - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Amine - Organic oxygen compound - 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