Structure Information
Structure

Compound Identification

SMILES

CN(CCOC(=O)C(CS(O)(=O)=O)NC(=O)CCC1=N\C(=C/C2=C(CCC[N+](C)(C)C)C=C(N2B(F)F)C2=CC=CC=C2)C(C)=C1)CC(=O)ON1C(=O)CC(C1=O)S(O)(=O)=O

InChIKey

InChIKey=MODNSMSXGNOCBI-RRAHZORUSA-O

Formula

C37H48BF2N6O13S2

Mass

897.75

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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 heteromonocyclic compounds

Substituents

Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - 2-phenylpyrrole - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty amide - Pyrrolidone - 2-pyrrolidone - Fatty acyl - Substituted pyrrole - Benzenoid - Dicarboximide - Tetraalkylammonium salt - Heteroaromatic compound - Pyrrole - Pyrrolidine - Quaternary ammonium salt - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Ketimine - Lactam - Organic metalloid salt - Azacycle - Organoheterocyclic compound - Imine - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Amine - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic 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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