Structure Information
Structure

Compound Identification

SMILES

COC(=O)[C@@H]1C(=O)C2=C(N(N=C2SC)C2=CC=CC=C2)N2C(=O)C(NC3=C(C#N)C(SC)=NN3C3=CC=CC=C3)=C(C(=O)OC)[C@]12C(=O)OC

InChIKey

InChIKey=POOFKBKNGIFUJP-ULKXQASOSA-N

Formula

C33H27N7O8S2

Mass

713.74

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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 heteropolycyclic compounds

Substituents

Alpha-amino acid ester - Phenylpyrazole - Tricarboxylic acid or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Aryl thioether - Aryl ketone - Aryl alkyl ketone - Alkylarylthioether - Vinylogous thioester - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Heteroaromatic compound - Pyrroline - Azole - Vinylogous amide - Tertiary carboxylic acid amide - Pyrazole - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxamide group - Carboxylic acid ester - Lactam - Ketone - Enamine - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Sulfenyl compound - Thioether - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic 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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