Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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=IBYQNYLGRYGJSJ-LPCSYZHESA-N

Formula

C41H53Cl2F6N6O9S

Mass

990.86

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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

Not available

Substituents

Beta amino acid or derivatives - Quinoline - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - 1,3-dichlorobenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Methylpyridine - Chlorobenzene - Aryl chloride - Monocyclic benzene moiety - Pyridine - Piperazine - Benzenoid - Aryl halide - 1,4-diazinane - Organosulfonic acid amide - Alpha-halocarboxylic acid - Tetraalkylammonium salt - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Tertiary carboxylic acid amide - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Alkyl fluoride - Primary aliphatic amine - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - 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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