Compound Identification
SMILES
COC1=C(Cl)C=C(NC(=O)C(C)N(C2=CC(Cl)=C(OC)C=C2)S(C)(=O)=O)C=C1
InChIKey
InChIKey=BENMHLAJYAUZKZ-UHFFFAOYSA-N
Formula
C18H20Cl2N2O5S
Mass
447.33
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
-
Subclass
Amino acids, peptides, and analogues
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Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alanine and derivatives
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Alanine and derivatives
Alternative Parents
Sulfanilides Anilides Methoxyanilines Phenoxy compounds Anisoles N-arylamides Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Organosulfonamides Aryl chlorides Organic sulfonamides Aminosulfonyl compounds Secondary carboxylic acid amides Carbonyl compounds Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alanine or derivatives - Sulfanilide - Anilide - Methoxyaniline - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - N-arylamide - Chlorobenzene - Halobenzene - Alkyl aryl ether - Organosulfonic acid amide - Organic sulfonic acid amide - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Secondary carboxylic acid amide - Carboxamide group - Ether - Organic nitrogen compound - Organic oxide - Organohalogen compound - Organic oxygen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available