Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)OC1=CNC(=C1)C1=CC=CC=C1

InChIKey

InChIKey=XKLFHIZXKBMARC-FQEVSTJZSA-N

Formula

C23H26N6O6S

Mass

514.56

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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

Alpha amino acid esters

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alpha-amino acid ester - P-toluenesulfonamide - 2-phenylpyrrole - Benzenesulfonamide - Tosyl compound - Benzenesulfonyl group - Nitroguanidine - Fatty acid ester - Toluene - Monocyclic benzene moiety - Substituted pyrrole - Organosulfonic acid amide - Fatty acyl - Benzenoid - Nitramine - Heteroaromatic compound - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Guanidine - Carboxylic acid ester - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboximidamide - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.

External Descriptors

Not available

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