Compound Identification
SMILES
OC(=O)C(CC1=CC=CC=C1)NC(=O)CSC1=NC=C(Br)N1C1=CC=C(C#N)C2=CC=CC=C12
InChIKey
InChIKey=WWYCOJGMQRIADG-UHFFFAOYSA-N
Formula
C25H19BrN4O3S
Mass
535.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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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
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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 - Alpha amino acids and derivatives
Direct Parent
Phenylalanine and derivatives
Alternative Parents
N-acyl-alpha amino acids Phenylpropanoic acids Naphthalenes Amphetamines and derivatives 1,2,5-trisubstituted imidazoles Imidazolyl carboxylic acids and derivatives Alkylarylthioethers N-substituted imidazoles Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Naphthalene - 1,2,5-trisubstituted-imidazole - Aryl thioether - Imidazolyl carboxylic acid derivative - Trisubstituted imidazole - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid - Nitrile - Carbonitrile - Thioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Cyanide - Organooxygen compound - Organosulfur compound - 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