Compound Identification
SMILES
COC(=O)C(=O)C1(C2N1C1=C(C=CC(Cl)=C1)N=C2N(C)\N=C\C1=CC=C(Br)C=C1)C(=O)OC
InChIKey
InChIKey=YTJQSWALHYDUKC-OPEKNORGSA-N
Formula
C22H18BrClN4O5
Mass
533.76
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
-
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
Quinoxalines Dialkylarylamines 1,4-diazepines Beta-keto acids and derivatives Bromobenzenes Fatty acid esters Alpha-keto acids and derivatives Aryl bromides Aryl chlorides Aziridinecarboxylic acids Beta-amino ketones Dicarboxylic acids and derivatives Imidolactams Alpha-amino ketones Methyl esters Amidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Quinoxaline - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Fatty acid ester - Halobenzene - Bromobenzene - Beta-keto acid - Para-diazepine - Aryl bromide - Fatty acyl - Aryl chloride - Imidolactam - Dicarboxylic acid or derivatives - Aryl halide - Aziridinecarboxylic acid - Benzenoid - Alpha-keto acid - Monocyclic benzene moiety - Keto acid - Beta-aminoketone - Methyl ester - Alpha-aminoketone - Tertiary amine - Carboxylic acid ester - Ketone - Amidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Aziridine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Carbonyl group - 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