Structure Information
Structure

Compound Identification

SMILES

CSC1=NC=C(Cl)C(=N1)C(=O)NC1=CC=C(CC(NC(=O)C2=C(C=CC(=C2)N(CCNC(C)C)C(C)C)[N+]([O-])=O)C(O)=O)C=C1

InChIKey

InChIKey=YRYADTIIEOCJER-UHFFFAOYSA-N

Formula

C30H36ClN7O6S

Mass

658.17

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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 heteromonocyclic compounds

Substituents

Phenylalanine or derivatives - Aromatic anilide - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid or derivatives - Hippuric acid - 3-phenylpropanoic-acid - Phenylisopropylamine - Aminobenzamide - Aminobenzoic acid or derivatives - Amphetamine or derivatives - Pyrimidine-6-carboxylic acid or derivatives - Nitrobenzene - Benzamide - Benzoic acid or derivatives - Tertiary aliphatic/aromatic amine - 2-heteroaryl carboxamide - Dialkylarylamine - Aniline or substituted anilines - Benzoyl - Nitroaromatic compound - Aryl thioether - Alkylarylthioether - Halopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous halide - Heteroaromatic compound - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxamide group - Tertiary amine - Amino acid - Thioether - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Azacycle - Secondary aliphatic amine - Organic zwitterion - Organic salt - Organohalogen compound - Carbonyl group - Organochloride - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organosulfur compound - Organic oxide - 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

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