Compound Identification
SMILES
ClC1=CC=CC=C1C=C1SC(=S)N(CCC(=O)NNC(=O)C2=CC=NC=C2)C1=O
InChIKey
InChIKey=YOUIIVHRFWCFRH-UHFFFAOYSA-N
Formula
C19H15ClN4O3S2
Mass
446.92
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
- Level 6 Beta 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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
Pyridinecarboxylic acids and derivatives Chlorobenzenes Thiazolidinethiones Aryl chlorides Heteroaromatic compounds Cyclic dithiocarbamic acid esters Carboxylic acid hydrazides Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta amino acid or derivatives - Pyridine carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Thiazolidinethione - Pyridine - Heteroaromatic compound - Dithiocarbamic acid ester - Thiazolidine - Cyclic dithiocarbamic acid ester - Carboxylic acid hydrazide - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available