Compound Identification
SMILES
CCC(=O)NCC(=O)N(C)C1=C(Cl)C(COC2=CC=CN3C(Br)=C(C)N=C23)=C(Cl)C=C1
InChIKey
InChIKey=RWYJAGSBBFGNRQ-UHFFFAOYSA-N
Formula
C21H21BrCl2N4O3
Mass
528.23
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
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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 Anilides Imidazopyridines Imidazo[1,2-a]pyridines Dichlorobenzenes Alkyl aryl ethers Pyridines and derivatives Aryl bromides N-substituted imidazoles Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Imidazo[1,2-a]pyridine - Imidazopyridine - Anilide - 1,3-dichlorobenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl bromide - Aryl chloride - Aryl halide - Benzenoid - N-substituted imidazole - Pyridine - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - Aromatic heteropolycyclic 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