Compound Identification
SMILES
CSC1=NC=CC(N[C@@H](CC2=CC=C(NC(=O)C3=C(Cl)C=NC=C3Cl)C=C2)C(O)=O)=N1
InChIKey
InChIKey=CIAXCVHHHHIVPF-HNNXBMFYSA-N
Formula
C20H17Cl2N5O3S
Mass
478.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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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
Aromatic anilides Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids Pyridinecarboxylic acids and derivatives Polyhalopyridines Alkylarylthioethers Aminopyrimidines and derivatives Secondary alkylarylamines Aryl chlorides Imidolactams Heteroaromatic compounds Vinylogous halides Amino acids Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Aromatic anilide - 3-phenylpropanoic-acid - Amphetamine or derivatives - L-alpha-amino acid - Pyridine carboxylic acid or derivatives - Aryl thioether - Polyhalopyridine - Secondary aliphatic/aromatic amine - Alkylarylthioether - Aminopyrimidine - Aryl chloride - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Pyridine - Aryl halide - Heteroaromatic compound - Vinylogous halide - Carboxamide group - Secondary carboxylic acid amide - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Secondary amine - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Amine - 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