Compound Identification
SMILES
CC(CC(=O)NS(=O)(=O)C1=CC=CC=C1Cl)NC1=CC(OCCC2=CC=C(C=C2)C(N)=N)=CC(C)=C1
InChIKey
InChIKey=SHFDSTQYQKWURG-UHFFFAOYSA-N
Formula
C26H29ClN4O4S
Mass
529.05
Taxonomic Classification
Taxonomy Tree
-
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
Benzenesulfonamides Aminophenyl ethers Benzenesulfonyl compounds Phenylalkylamines Phenoxy compounds Aminotoluenes Aniline and substituted anilines Secondary alkylarylamines Alkyl aryl ethers Chlorobenzenes Aryl chlorides Organosulfonic acids and derivatives Aminosulfonyl compounds Carboximidamides Carboxamidines Organochlorides Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta amino acid or derivatives - Benzenesulfonamide - Aminophenyl ether - Benzenesulfonyl group - Phenoxy compound - Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboximidamide - Secondary amine - Amidine - Carboxylic acid amidine - Ether - Hydrocarbon derivative - Organosulfur compound - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic 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