Structure Information
Structure

Compound Identification

SMILES

CC1=C2C=C3C(CCC[N+](C)(C)C)=CC(C4=CC=CS4)=[N+]3[B-](F)(F)N2C(\C=C\C2=CC=C(OCCCC(=O)NC(CS([O-])(=O)=O)C(=O)NCCCCC(=O)ON3C(=O)CCC3=O)C=C2)=C1

InChIKey

InChIKey=RGQUCMMVEGFDJB-SAPNQHFASA-N

Formula

C44H53BF2N6O10S2

Mass

938.87

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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

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Phenoxy compound - Phenol ether - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Pyrrolidone - 2-pyrrolidone - Substituted pyrrole - Benzenoid - Fatty acyl - Heteroaromatic compound - Alkanesulfonic acid - Thiophene - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Dicarboximide - Quaternary ammonium salt - Tetraalkylammonium salt - Pyrrole - Pyrrolidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Organic zwitterion - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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