Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)NC1[C@H]2N(C1=O)C(C(O)=O)=C(CS2=O)C=CSC1=NC=CC=N1

InChIKey

InChIKey=XBIDHAMKWDMWOV-ACXLGVKVSA-N

Formula

C18H20N4O6S2

Mass

452.5

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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 - Cephem - Aryl thioether - Meta-thiazine - Pyrimidine - Beta-lactam - Heteroaromatic compound - Carbamic acid ester - Tertiary carboxylic acid amide - Azetidine - Amino acid - Carboxamide group - Lactam - Thioenolether - Tertiary amine - Sulfoxide - Azacycle - Carboxylic acid - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Sulfinyl compound - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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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