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)CCC[N+](C)(C)C)C(C)=C1

InChIKey

InChIKey=ZTSGFIVHGSJVSQ-MHZLTWQESA-N

Formula

C37H51Cl2N6O5S

Mass

762.81

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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 - Methylpyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyridine - Benzenoid - Organosulfonic acid amide - Aminosulfonyl compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tetraalkylammonium salt - Heteroaromatic compound - Quaternary ammonium salt - Carboxamide group - Organoheterocyclic compound - Ether - Azacycle - Amine - Organic oxygen compound - Primary aliphatic amine - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organochloride - Organic nitrogen compound - Primary amine - Organic cation - 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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