Compound Identification
SMILES
[Na+].[Na+].[Na+].COC1=NC(Cl)=NC(NC2=C(C=C(N=NC3C(C)=NN(C3=O)C3=CC=C(C=C3)S([O-])(=O)=O)C(=C2)S([O-])(=O)=O)S([O-])(=O)=O)=N1
InChIKey
InChIKey=AGFKGCBQQDZVOK-UHFFFAOYSA-K
Formula
C20H14ClN8Na3O11S3
Mass
742.98
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 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds 2-methoxy-1,3,5-triazines Aniline and substituted anilines Alkyl aryl ethers Aminotriazines Chloro-s-triazines Pyrazolones Aryl chlorides Sulfonyls Organosulfonic acids Heteroaromatic compounds Azo compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic metal halides Azacyclic compounds Organochlorides Organic oxides Organic sodium salts Hydrocarbon derivatives Carbonyl compounds 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 - 2-methoxy-1,3,5-triazine - Alkoxy-s-triazine - Aniline or substituted anilines - Alkyl aryl ether - Chloro-s-triazine - Halo-s-triazine - Amino-1,3,5-triazine - Aminotriazine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrazolinone - Triazine - Benzenoid - 1,3,5-triazine - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrazoline - Azo compound - Organic alkali metal salt - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Secondary amine - Organic metal halide - Propargyl-type 1,3-dipolar organic compound - Ether - Organic sodium salt - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Carbonyl group - Amine - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organic oxide - Organic 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