Structure Information
Structure

Compound Identification

SMILES

Cl.NC1C(OC1=O)C(O)=O.CCOC1=C2C(=O)C=C(OC2=CC(OC(C)C)=C1OC)SC1=CC=CC=C1

InChIKey

InChIKey=BGVAXJUUSKFNCB-UHFFFAOYSA-N

Formula

C25H28ClNO9S

Mass

554.01

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Carbohydrates and carbohydrate conjugates

Intermediate Tree Nodes

Sugar acids and derivatives - Sugar amino acids and derivatives

Direct Parent

Oxetane amino acids and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Alpha-amino acid ester - Oxetane amino acid - Chromone - Diarylthioether - 1-benzopyran - Alpha-amino acid or derivatives - Benzopyran - Thiophenol ether - Aryl thioether - Phenol ether - Anisole - Pyranone - Alkyl aryl ether - Vinylogous thioester - Dicarboxylic acid or derivatives - Benzenoid - Pyran - Monocyclic benzene moiety - Vinylogous ester - Beta_propiolactone - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Carboxylic acid ester - Lactone - Oxetane - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Thioether - Ether - Carbonyl group - Primary amine - Hydrochloride - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as oxetane amino acids and derivatives. These are sugar amino acids containing an oxetane ring between the carboxy- and the amino terminals of the amino acid chain.

External Descriptors

Not available

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