Compound Identification
SMILES
Cl.NC(CC1=CC=C(NC2=C3C=CC=CC3=NC3=CC=CC=C23)C=C1)C(O)=O
InChIKey
InChIKey=ITWZATCCNIBXCG-UHFFFAOYSA-N
Formula
C22H20ClN3O2
Mass
393.87
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 Phenylalanine 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
Phenylalanine and derivatives
Alternative Parents
Acridines 4-aminoquinolines Phenylpropanoic acids Alpha amino acids Amphetamines and derivatives Aniline and substituted anilines Aminopyridines and derivatives Aralkylamines Primary aromatic amines Heteroaromatic compounds Amino acids Secondary amines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Organic oxides Carbonyl compounds Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - Acridine - Benzoquinoline - 4-aminoquinoline - Aminoquinoline - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - Quinoline - Aniline or substituted anilines - Aminopyridine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Pyridine - Primary aromatic amine - Heteroaromatic compound - Amino acid - Organoheterocyclic compound - Secondary amine - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Primary aliphatic amine - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available