Compound Identification
SMILES
COC(=O)[C@@H]1CCCN1S(=O)(=O)C1=C(Cl)C(COC2=CC=CC3=C2N=C(C)C=C3)=C(Cl)C=C1
InChIKey
InChIKey=PNUXFJOINITEBL-SFHVURJKSA-N
Formula
C23H22Cl2N2O5S
Mass
509.4
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 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
Proline and derivatives Quinolines and derivatives Benzenesulfonamides Benzenesulfonyl compounds Pyrrolidine carboxylic acids Phenol ethers Dichlorobenzenes Alkyl aryl ethers Methylpyridines Aryl chlorides Organosulfonamides Methyl esters Heteroaromatic compounds Sulfonyls Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organochlorides Carbonyl compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Proline or derivatives - Benzenesulfonamide - Quinoline - Benzenesulfonyl group - 1,3-dichlorobenzene - Phenol ether - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Alkyl aryl ether - Methylpyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Pyrrolidine - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Ether - Azacycle - Monocarboxylic acid or derivatives - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic 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