Compound Identification
SMILES
CC(N1C=CC(C2=CC=C(Cl)C=C2)C(=C1)C(=O)C1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=DIXRWLUWZVXVHP-UHFFFAOYSA-N
Formula
C21H18ClNO3
Mass
367.83
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 Alanine 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
Alanine and derivatives
Alternative Parents
Alpha amino acids Aryl ketones Benzoyl derivatives Chlorobenzenes Dihydropyridines Aryl chlorides Vinylogous amides Trialkylamines Amino acids Enamines Allylamines Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alanine or derivatives - Alpha-amino acid - Aryl ketone - Benzoyl - Halobenzene - Dihydropyridine - Chlorobenzene - Hydropyridine - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - Ketone - Tertiary amine - Tertiary aliphatic amine - Amino acid - Allylamine - Carboxylic acid - Azacycle - Organoheterocyclic compound - Enamine - Monocarboxylic acid or derivatives - Organic oxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alanine and derivatives. These are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available