Compound Identification
SMILES
CNC(=O)C1=CC=C(\C=C\C(=O)NCC(=O)N(C)C2=C(Cl)C(CBr)=C(Cl)C=C2)C=C1
InChIKey
InChIKey=FLFMSDQSKKEAED-BJMVGYQFSA-N
Formula
C21H20BrCl2N3O3
Mass
513.21
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
- Level 5 Amino acids and derivatives
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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
N-acyl-alpha amino acids and derivatives
Alternative Parents
Alpha amino acid amides Cinnamic acid amides Anilides Benzamides Styrenes Benzoyl derivatives Benzyl bromides Dichlorobenzenes Aryl chlorides Tertiary carboxylic acid amides Secondary carboxylic acid amides Organonitrogen compounds Carbonyl compounds Alkyl bromides Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cinnamic acid amide - Cinnamic acid or derivatives - Benzamide - Benzoic acid or derivatives - Anilide - Styrene - Benzyl halide - Benzyl bromide - Benzoyl - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Alkyl halide - Organohalogen compound - Alkyl bromide - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors
Not available