Compound Identification
SMILES
ClC1=C(C=CC(NC(=O)C2CCCNC2)=C1)C1=NC(=O)C2=C(N1)C1=C(O2)C=CC(Br)=C1
InChIKey
InChIKey=VDSQRFIPIRLHEX-UHFFFAOYSA-N
Formula
C22H18BrClN4O3
Mass
501.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
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Class
Carboxylic acids and derivatives
-
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
-
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
Piperidinecarboxamides Anilides Benzofurans N-arylamides Pyrimidones Chlorobenzenes Aryl bromides Aryl chlorides Vinylogous amides Heteroaromatic compounds Furans Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Benzofuran - Anilide - 3-piperidinecarboxamide - Piperidinecarboxamide - N-arylamide - Chlorobenzene - Halobenzene - Pyrimidone - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyrimidine - Heteroaromatic compound - Furan - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Secondary amine - Oxacycle - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organochloride - 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