Compound Identification
SMILES
BrC1=CC=CC=C1CNC(=O)[C@@H]1CCCN1C(=O)CCC1=[N+]C2=CC=CC=C2N1
InChIKey
InChIKey=WZLNNFRJAPLGGW-IBGZPJMESA-N
Formula
C22H23BrN4O2
Mass
455.355
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Proline and derivatives
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Level 6
Alpha amino acids and derivatives
-
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 - Alpha amino acids and derivatives
Direct Parent
Proline and derivatives
Alternative Parents
Alpha amino acid amides Benzimidazoles Pyrrolidinecarboxamides N-acylpyrrolidines Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Imidazoles Tertiary amines Secondary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organobromides Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Proline or derivatives - Alpha-amino acid amide - Benzimidazole - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Imidazole - Secondary carboxylic acid amide - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organobromide - Amine - Organonitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as proline and derivatives. These are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available