Compound Identification
SMILES
CCC(NC1=CC=C(Br)C=C1)C(=O)NN=CC1=CC=CC=C1Cl
InChIKey
InChIKey=CQAVGDJLOPVDPJ-UHFFFAOYSA-N
Formula
C17H17BrClN3O
Mass
394.7
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
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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
Alpha amino acids and derivatives
Alternative Parents
Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Chlorobenzenes Bromobenzenes Aryl chlorides Aryl bromides Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Phenylalkylamine - Aniline or substituted anilines - Bromobenzene - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Secondary amine - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
External Descriptors
Not available