Compound Identification
SMILES
COC1=CC(C(=O)COC(=O)C(NS(=O)(=O)C2=CC=C(Cl)C=C2)C(C)O)=C(OC)C=C1
InChIKey
InChIKey=NREFZJOCYGOYCA-UHFFFAOYSA-N
Formula
C20H22ClNO8S
Mass
471.91
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
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Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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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
Alpha amino acid esters
Alternative Parents
Alkyl-phenylketones Dimethoxybenzenes Benzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Alpha-acyloxy ketones Fatty acid esters Chlorobenzenes Beta hydroxy acids and derivatives Organosulfonamides Aryl chlorides Aminosulfonyl compounds Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Organochlorides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Alpha-amino acid ester - Benzenesulfonamide - Dimethoxybenzene - P-dimethoxybenzene - Phenylketone - Benzenesulfonyl group - Methoxybenzene - Benzoyl - Phenol ether - Aryl alkyl ketone - Aryl ketone - Anisole - Phenoxy compound - Halobenzene - Fatty acid ester - Alpha-acyloxy ketone - Chlorobenzene - Beta-hydroxy acid - Alkyl aryl ether - Hydroxy acid - Aryl chloride - Fatty acyl - Benzenoid - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Secondary alcohol - Carboxylic acid ester - Ketone - Ether - Monocarboxylic acid or derivatives - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available