Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)N[C@@H]1COC(=O)[C@H]1NC(=O)C1=CC2=C(N1)C=CC(Cl)=C2

InChIKey

InChIKey=HTQSGCDIFAAIFM-KGLIPLIRSA-N

Formula

C18H20ClN3O5

Mass

393.82

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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

Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Indolecarboxamide derivative - Indolecarboxylic acid derivative - Indole or derivatives - Indole - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Aryl chloride - Aryl halide - Gamma butyrolactone - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Carbamic acid ester - Oxolane - Pyrrole - Lactone - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - 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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