Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(CS[C@H]2C[C@H](N(C2)C(=O)OCC2=CC=C(C=C2)[N+]([O-])=O)C(=O)N2CCCN(CC(=O)OCC3=CC=C(C=C3)[N+]([O-])=O)CC2)C=C1

InChIKey

InChIKey=NDHMMRQKJHBQIH-ACHIHNKUSA-N

Formula

C35H39N5O10S

Mass

721.78

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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 - Alpha-amino acid amide - Benzyloxycarbonyl - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Phenol ether - Methoxybenzene - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - 1,4-diazepane - Alkyl aryl ether - Diazepane - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Tertiary carboxylic acid amide - Pyrrolidine - Carboxamide group - Tertiary aliphatic amine - Carboxylic acid ester - Tertiary amine - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Ether - Monocarboxylic acid or derivatives - Dialkylthioether - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Amine - Organic nitrogen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic oxygen compound - 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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