Compound Identification
SMILES
ClC1=CC=CC=C1N1C(SCC2=NC(=CS2)C(=O)NC2CCCCNC2=O)=NN=C1C1=CC=CC=C1Cl
InChIKey
InChIKey=KLHLGEJDAPHYMP-UHFFFAOYSA-N
Formula
C25H22Cl2N6O2S2
Mass
573.51
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 - Alpha amino acids and derivatives
Direct Parent
N-acyl-alpha amino acids and derivatives
Alternative Parents
Phenyl-1,2,4-triazoles Thiazolecarboxamides 2-heteroaryl carboxamides Caprolactams 2,4-disubstituted thiazoles Alkylarylthioethers Azepanes Chlorobenzenes Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Organochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Phenyltriazole - Phenyl-1,2,4-triazole - 2-heteroaryl carboxamide - Caprolactam - Aryl thioether - Thiazolecarboxamide - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Azepane - Chlorobenzene - Halobenzene - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Aryl halide - 1,2,4-triazole - Triazole - Heteroaromatic compound - Thiazole - Azole - Carboxamide group - Secondary carboxylic acid amide - Lactam - Sulfenyl compound - Organoheterocyclic compound - Thioether - Azacycle - Organohalogen compound - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available