Compound Identification
SMILES
OC(=O)C[C@H](CC1=CC=C(Cl)C=C1)NC(=O)C1=C(NS(=O)(=O)C2=CC=CC3=NC=CN=C23)C=C(Cl)C=C1
InChIKey
InChIKey=BPRLWPNHRGMGFL-SFHVURJKSA-N
Formula
C25H20Cl2N4O5S
Mass
559.42
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
- Level 6 Beta amino acids and derivatives
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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
Beta amino acids and derivatives
Alternative Parents
4-halobenzoic acids and derivatives Sulfanilides Amphetamines and derivatives Quinoxalines Benzamides Benzoyl derivatives Chlorobenzenes Aryl chlorides Pyrazines Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Vinylogous amides Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Amphetamine or derivatives - Sulfanilide - Quinoxaline - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid amide - Pyrazine - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid - Organochloride - Organic oxygen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic 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