Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@H](CC1=CC=C(NC(=O)C2=C(Cl)C=CC=C2Cl)C=C1)NC(=O)C1CSCN1C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

InChIKey

InChIKey=LZNZIFFUDUOMTL-FSRLHOSWSA-N

Formula

C36H31Cl2N3O6S

Mass

704.62

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenylalanine or derivatives - Benzanilide - Aromatic anilide - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Fluorene - Amphetamine or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - 1,3-dichlorobenzene - Benzoyl - Halobenzene - Fatty acid ester - Chlorobenzene - Monocyclic benzene moiety - Aryl halide - Fatty acyl - Aryl chloride - Benzenoid - Carbamic acid ester - Thiazolidine - Vinylogous halide - Methyl ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Dialkylthioether - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic 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

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