Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)N1C=C(C[C@@H](NC(=O)C(=O)C2=CC(Cl)=C(O)C(Cl)=C2)C(O)=O)C2=C1C=C(C=C2)B1OC(C)(C)C(C)(C)O1

InChIKey

InChIKey=CPFQEJVPYKRXST-OAQYLSRUSA-N

Formula

C30H33BCl2N2O9

Mass

647.31

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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 - N-acyl-alpha amino acids and derivatives

Direct Parent

N-acyl-alpha amino acids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-acyl-alpha-amino acid - Indolecarboxylic acid - Indolecarboxylic acid derivative - Phenylacetamide - 3-alkylindole - Indole - Indole or derivatives - Benzoyl - 1,3-dichlorobenzene - 2-halophenol - 2-chlorophenol - Pyrrole-1-carboxylic acid or derivatives - Aryl ketone - Phenol - Halobenzene - Chlorobenzene - Substituted pyrrole - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Pyrrole - 1,3,2-dioxaborolane - Heteroaromatic compound - Boronic acid ester - Secondary carboxylic acid amide - Boronic acid derivative - Ketone - Carboxamide group - Carboxylic acid - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Organic metalloid salt - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organohalogen compound - Organic metalloid moeity - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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