Compound Identification
SMILES
COC(=O)C(CCCCNC(=S)NC1=C(C)C=C(Cl)C=C1)NS(=O)(=O)C1=CC=C(C)C=C1
InChIKey
InChIKey=MYBJOJQEKOTZDX-UHFFFAOYSA-N
Formula
C22H28ClN3O4S2
Mass
498.05
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
-
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
P-toluenesulfonamides Benzenesulfonamides N-phenylthioureas Benzenesulfonyl compounds Fatty acid esters Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Methyl esters Thioureas Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alpha-amino acid ester - P-toluenesulfonamide - Benzenesulfonamide - N-phenylthiourea - Tosyl compound - Benzenesulfonyl group - Chlorobenzene - Fatty acid ester - Halobenzene - Toluene - Aryl halide - Organosulfonic acid amide - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methyl ester - Thiourea - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organosulfur compound - Organic oxide - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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