Compound Identification
SMILES
CS(=O)(=O)N1CSC[C@@H]1C(=O)N[C@@H](CC1=CC=C(NC(=O)C2=C(Cl)C=CC=C2Cl)C=C1)C(O)=O
InChIKey
InChIKey=OMYHVVDQAOPJJR-DLBZAZTESA-N
Formula
C21H21Cl2N3O6S2
Mass
546.43
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
Benzanilides N-acyl-L-alpha-amino acids Phenylpropanoic acids 2-halobenzoic acids and derivatives Amphetamines and derivatives Benzamides Benzoyl derivatives Dichlorobenzenes Aryl chlorides Organosulfonamides Organic sulfonamides Thiazolidines Sulfonyls Vinylogous halides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Benzanilide - Aromatic anilide - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - 3-phenylpropanoic-acid - Amphetamine or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic sulfonic acid amide - Organosulfonic acid amide - Vinylogous halide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Thiazolidine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Dialkylthioether - Carboxylic acid - Thioether - Organochloride - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - 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