Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=C(C=CC(Cl)=C1)C1=CC=C(O1)C(=O)NC1(CCNCC1)C(=O)N1CCCN(CC1)C(=O)C1=CC=CS1

InChIKey

InChIKey=LMXWCZJBEGZHKP-UHFFFAOYSA-N

Formula

C27H28ClN5O6S

Mass

586.06

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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

N-acyl-alpha amino acid or derivatives - Nitrobenzene - Piperidinecarboxamide - 2-heteroaryl carboxamide - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Furoic acid or derivatives - Nitroaromatic compound - Halobenzene - Chlorobenzene - 1,4-diazepane - Diazepane - Piperidine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Furan - Thiophene - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - C-nitro compound - Oxacycle - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Secondary amine - Organic oxide - Organic salt - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic zwitterion - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - 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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