Structure Information
Structure

Compound Identification

SMILES

CC(=O)OCC1=C(N2C(SC1)C(NC(=O)C1=CC=C(COC3=C(Cl)C=C(C=C3)[N+]([O-])=O)O1)C2=O)C(O)=O

InChIKey

InChIKey=VRVZBIPNUFPMAH-UHFFFAOYSA-N

Formula

C22H18ClN3O10S

Mass

551.91

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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 - Nitrophenyl ether - Nitrobenzene - Cephem - 2-heteroaryl carboxamide - Phenol ether - Furoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl halide - Benzenoid - Dicarboxylic acid or derivatives - Meta-thiazine - Aryl chloride - Monocyclic benzene moiety - Furan - Tertiary carboxylic acid amide - Beta-lactam - Heteroaromatic compound - Azetidine - Carboxamide group - Carboxylic acid ester - Organic nitro compound - Lactam - C-nitro compound - Secondary carboxylic acid amide - Organic oxoazanium - Thioether - Allyl-type 1,3-dipolar organic compound - Hemithioaminal - Propargyl-type 1,3-dipolar organic compound - Oxacycle - Organic 1,3-dipolar compound - Dialkylthioether - Ether - Organoheterocyclic compound - Carboxylic acid - Azacycle - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Hydrocarbon derivative - 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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