Compound Identification
SMILES
OC(=O)CN1C(SC2=C1C=C(C=C2)C1=C[C+]=CO1)=CC1=[N+](CCCS([O-])(=O)=O)C2=C(S1)N=C(Cl)C(Cl)=N2
InChIKey
InChIKey=STGDFSXYXVKLIV-UHFFFAOYSA-O
Formula
C22H15Cl2N4O6S3
Mass
598.46
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
-
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
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Benzothiazoles Aryl thioethers Aryl chlorides Benzenoids Pyrazines Alkanesulfonic acids Thiazoles Sulfonyls Furans Heteroaromatic compounds Organosulfonic acids Ketene acetals Tertiary amines Amino acids Azacyclic compounds Carboxylic acids Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organochlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - 1,3-benzothiazole - Benzo-thiazole - 1,2-benzothiazole - Aryl thioether - Aryl chloride - Aryl halide - Pyrazine - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Heteroaromatic compound - Furan - Azole - Alkanesulfonic acid - Thiazole - Sulfonyl - Amino acid - Tertiary amine - Ketene acetal or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organic salt - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic heteropolycyclic 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