Compound Identification
SMILES
[K+].OCCN1C(=S)N(C(=O)C1=C=C=C1OC2=C(C=C(Cl)C=C2)N1CCCCS([O-])(=O)=O)C1=CC=CC=N1
InChIKey
InChIKey=DWLPFHNNPVMOEE-UHFFFAOYSA-M
Formula
C23H20ClKN4O6S2
Mass
587.1
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
-
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
Benzoxazolines Aryl chlorides Benzenoids Pyridines and derivatives Imidazolidinones Imidolactams Alkanesulfonic acids Sulfonyls Heteroaromatic compounds Organosulfonic acids Thioureas Organic metal halides Azacyclic compounds Oxacyclic compounds Alkanolamines Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organic oxides Organic potassium salts Organic zwitterions Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzoxazoline - Aryl chloride - Aryl halide - Imidazolidinone - Pyridine - Benzenoid - Imidolactam - Imidazolidine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Thiourea - Organic metal halide - Organic alkali metal salt - Organoheterocyclic compound - Azacycle - Oxacycle - Alkanolamine - Organic oxygen compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic zwitterion - Organic nitrogen compound - Organic salt - Amine - Organic potassium salt - 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