Structure Information
Structure

Compound Identification

SMILES

COCC(=O)O[C@H](C)OC(=O)C1=C(OC2=CC=C(C=C2)S(C)=O)S[C@@H]2CC(=O)N12

InChIKey

InChIKey=YQLAOBCGKHDYSU-CNYIADNOSA-N

Formula

C18H19NO8S2

Mass

441.47

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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

Direct Parent

Alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Phenyl sulfoxide - Phenoxy compound - Penem - Thiazolecarboxylic acid or derivatives - Acylal - Monocyclic benzene moiety - Vinylogous thioester - Dicarboxylic acid or derivatives - Benzenoid - Beta-lactam - Monothioacetal - Vinylogous ester - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Thiazole - Meta-thiazoline - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Sulfoxide - Hemithioaminal - Sulfinyl compound - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Acetal - Organosulfur compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

External Descriptors

Not available

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