Compound Identification
SMILES
[Na+].CC1=C(C=CC(=C1)S(O)(=O)=O)N1N=C(C(N=NC2=C(C=CC(NC3=NC(=NC(C)=C3Cl)S(C)(=O)=O)=C2)S(O)(=O)=O)C1=O)C([O-])=O
InChIKey
InChIKey=DTJYUQFJCKALBI-UHFFFAOYSA-M
Formula
C23H19ClN7NaO11S3
Mass
724.06
Taxonomic Classification
Taxonomy Tree
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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
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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 Toluenes Halopyrimidines Aminopyrimidines and derivatives Pyrazolones Aryl chlorides Imidolactams Sulfones Heteroaromatic compounds Organosulfonic acids Azo compounds Carboxylic acid salts Amino acids Secondary amines Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organic metal halides Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic sodium salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzenesulfonate - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Aniline or substituted anilines - Aminopyrimidine - Halopyrimidine - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrazolinone - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Pyrazoline - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Amino acid - Azo compound - Carboxylic acid salt - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic metal halide - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic alkali metal salt - Secondary amine - Organohalogen compound - Organic sodium salt - Organic nitrogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Organic oxide - Organic salt - Hydrocarbon derivative - 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