Compound Identification
SMILES
COC1=NC=C(C=C1)C1=NC(NC(=O)C(C)CC2=CC(Cl)=C(Cl)C=C2)C(=O)N(C)C2=CC=CC=C12
InChIKey
InChIKey=CABCLBFVKDUGPA-UHFFFAOYSA-N
Formula
C26H24Cl2N4O3
Mass
511.4
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
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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
1,4-benzodiazepines Phenylpropanes Dichlorobenzenes Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Fatty amides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Ketimines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-alpha amino acid or derivatives - 1,4-benzodiazepine - Benzodiazepine - Phenylpropane - 1,2-dichlorobenzene - Halobenzene - Chlorobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Fatty acyl - Benzenoid - Fatty amide - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Ketimine - Lactam - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Imine - Organochloride - 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