Compound Identification
SMILES
[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)C1=C(Br)C=C(C=C1)C1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
InChIKey
InChIKey=GPWJGVWRGDUOTC-UHFFFAOYSA-L
Formula
C15H7BrCl6N4Na2O4
Mass
645.83
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
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Level 5
Amino acids and derivatives
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acids
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Level 6
Alpha amino acids and derivatives
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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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acids
Alternative Parents
2-bromoanilines Dialkylarylamines Bromobenzenes 1,3,5-triazines Aryl bromides Dicarboxylic acids and derivatives Heteroaromatic compounds Amino acids Carboxylic acid salts Azacyclic compounds Organic metal halides Carboxylic acids Carbonyl compounds Organobromides Organochlorides Organic oxides Organic sodium salts Alkyl chlorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - 2-bromoaniline - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,3,5-triazine - Triazine - Benzenoid - Heteroaromatic compound - Amino acid - Carboxylic acid salt - Tertiary amine - Organoheterocyclic compound - Organic metal halide - Organic alkali metal salt - Carboxylic acid - Azacycle - Organic salt - Organic sodium salt - Organochloride - Organobromide - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Alkyl halide - Carbonyl group - Alkyl chloride - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Amine - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
External Descriptors
Not available