Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C1=CC=C(CN([C@@H](CC2=CC=CC=C2)C(O)=O)C(=O)C2=C(Cl)C=C(Cl)C=C2)S1
InChIKey
InChIKey=YVQOUYXXXQOSIT-VWLOTQADSA-N
Formula
C29H23Cl2NO5S
Mass
568.47
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 Phenylpropanoic acids 2-halobenzoic acids and derivatives 4-halobenzoic acids and derivatives Amphetamines and derivatives Benzoic acid esters Dichlorobenzenes Benzoyl derivatives 2,5-disubstituted thiophenes Aryl chlorides Methyl esters Vinylogous halides Heteroaromatic compounds Tertiary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylalanine or derivatives - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Benzoate ester - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - 1,3-dichlorobenzene - Benzoyl - Halobenzene - Chlorobenzene - 2,5-disubstituted thiophene - Aryl halide - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Vinylogous halide - Heteroaromatic compound - Methyl ester - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen 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