Compound Identification
SMILES
CCN(CC(=O)OC)C1=C(Cl)C=C(N=NC2=NC3=CC(Cl)=C(Cl)C=C3S2)C(NC(C)=O)=C1
InChIKey
InChIKey=UHRYODLWZHLKRM-UHFFFAOYSA-N
Formula
C20H18Cl3N5O3S
Mass
514.81
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
P-haloacetanilides N-acetylarylamines Benzothiazoles Aniline and substituted anilines Dialkylarylamines Chlorobenzenes Aryl chlorides Thiazoles Acetamides Methyl esters Heteroaromatic compounds Secondary carboxylic acid amides Azo compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - P-haloacetanilide - Haloacetanilide - Acetanilide - Anilide - 1,3-benzothiazole - N-acetylarylamine - N-arylamide - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl chloride - Azole - Heteroaromatic compound - Acetamide - Thiazole - Methyl ester - Secondary carboxylic acid amide - Tertiary amine - Azo compound - Carboxylic acid ester - Carboxamide group - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Organohalogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen 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