Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@]12CC[C@H]3CN([C@@H]([C@@H](N1C(=O)C1=CC(=CC(=C1)[N+]([O-])=O)[N+]([O-])=O)C1=CC=CC=C1)[C@@H]23)S(=O)(=O)C1=CC=C(C)C=C1

InChIKey

InChIKey=NZAMWPPXTARBAU-MCLQFJOMSA-N

Formula

C30H28N4O9S

Mass

620.63

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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

Alpha-amino acid ester - N,n-disubstituted p-toluenesulfonamide - N-acyl-alpha-amino acid - 2-phenylpyrrolidine - P-toluenesulfonamide - Tosyl compound - Benzenesulfonamide - Benzamide - Benzenesulfonyl group - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Benzoyl - N-acylpyrrolidine - Toluene - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Pyrrole - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Methyl ester - Sulfonyl - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic zwitterion - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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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