Compound Identification
SMILES
CN1N=CC(C2=CSC=C2)=C(C1=O)C1=CC=C(C[C@H](NC(=O)C2=C(Cl)C=CC=C2Cl)C(O)=O)C=C1
InChIKey
InChIKey=VDAVCTZCHJAJJR-FQEVSTJZSA-N
Formula
C25H19Cl2N3O4S
Mass
528.4
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
-
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
Hippuric acids N-acyl-alpha amino acids Phenylpyridazines Phenylpropanoic acids 2-halobenzoic acids and derivatives Amphetamines and derivatives Benzoyl derivatives Dichlorobenzenes Pyridazinones Aryl chlorides Thiophenes Vinylogous halides Heteroaromatic compounds Lactams Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha-amino acid - Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Hippuric acid - Phenylpyridazine - 3-phenylpropanoic-acid - Amphetamine or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - 1,3-dichlorobenzene - Benzoyl - Halobenzene - Chlorobenzene - Pyridazinone - Pyridazine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Thiophene - Lactam - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organohalogen compound - Organic oxide - Aromatic heteromonocyclic 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