Compound Identification
SMILES
CC1=C(C=CC(=C1)C(=O)NC(CC(N)=O)C1=NC2=C(N1)C=C(Cl)C=C2)C(=O)N1CCCC1
InChIKey
InChIKey=UXYNEQAEJGCHJZ-UHFFFAOYSA-N
Formula
C23H24ClN5O3
Mass
453.93
Taxonomic Classification
Taxonomy Tree
-
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 Beta amino acids and derivatives
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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
Direct Parent
Beta amino acids and derivatives
Alternative Parents
o-Toluamides m-Toluamides Benzamides Benzimidazoles Benzoyl derivatives N-acylpyrrolidines Aryl chlorides Fatty amides Tertiary carboxylic acid amides Heteroaromatic compounds Imidazoles Primary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Organochlorides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzoic acid or derivatives - Benzimidazole - Benzamide - Toluamide - M-toluamide - O-toluamide - Benzoyl - N-acylpyrrolidine - Toluene - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Aryl chloride - Fatty amide - Heteroaromatic compound - Azole - Imidazole - Pyrrolidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Primary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
External Descriptors
Not available