Structure Information
Structure

Compound Identification

SMILES

OC(=O)[C@H](CC1=CC=C(C=C1)C1=CC=C(C=C1)C#N)NC(=O)[C@@H]1CC2=CC3=C(OC(C(=O)N3)C3=CC=C(OCC4=CC(Cl)=C(Cl)N=C4)C=C3)C=C2CN1C(=O)C1=CC=CS1

InChIKey

InChIKey=AWNUYDZNEQFJNN-LFOSQWHESA-N

Formula

C45H33Cl2N5O7S

Mass

858.75

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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 - Biphenylcarbonitrile - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - Alpha-amino acid amide - Biphenyl - 3-phenylpropanoic-acid - Benzoxazinone - Benzoxazine - Tetrahydroisoquinoline - Benzomorpholine - Amphetamine or derivatives - 2-heteroaryl carboxamide - Polyhalopyridine - Benzonitrile - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Phenol ether - Phenoxy compound - 2-halopyridine - Alkyl aryl ether - Benzenoid - Oxazinane - Monocyclic benzene moiety - Pyridine - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Amino acid - Carboxamide group - Lactam - Tertiary amine - Secondary carboxylic acid amide - Oxacycle - Azacycle - Organoheterocyclic compound - Nitrile - Carboxylic acid - Ether - Carbonitrile - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Cyanide - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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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