Structure Information
Structure

Compound Identification

SMILES

CC1=NC2=C(C=CC=C2OCC2=C(Cl)C=CC(=C2Cl)S(=O)(=O)NC2(CCCC2)C(=O)N2CCN(CC2)C(=O)C[C@@H](N)CCCN=C(N)N)C(C)=C1

InChIKey

InChIKey=COEYQHHSXLKKSG-DEOSSOPVSA-N

Formula

C35H46Cl2N8O5S

Mass

761.76

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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

Direct Parent

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - Alpha-amino acid or derivatives - Benzenesulfonamide - Quinoline - Benzenesulfonyl group - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Methylpyridine - Halobenzene - 1,4-diazinane - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Piperazine - Pyridine - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Aminosulfonyl compound - Guanidine - Carboxamide group - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Primary amine - Amine - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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