Compound Identification
SMILES
CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](CC1=CC=C(OCC2=C(Cl)C=C(Cl)C=C2Cl)C=C1)C(O)=O
InChIKey
InChIKey=ABJSNELGJPGPEZ-VQTJNVASSA-N
Formula
C22H21Cl3N2O5S
Mass
531.83
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
-
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-L-alpha-amino acids Phenylpropanoic acids Amphetamines and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes Aryl chlorides Acetamides Thiazolidines Tertiary carboxylic acid amides Tertiary amines Secondary carboxylic acid amides Amino acids Thiohemiaminal derivatives Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - 3-phenylpropanoic-acid - Amphetamine or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl chloride - Acetamide - Tertiary carboxylic acid amide - Thiazolidine - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Tertiary amine - Azacycle - Ether - Organoheterocyclic compound - Thioether - Hemithioaminal - Dialkylthioether - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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