Structure Information
Structure

Compound Identification

SMILES

OS([O-])(=O)=O.CO\N=C(\C(=O)N[C@H]1[C@H]2COC(CSC3=CC=[N+](CC(C)=O)C=C3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1

InChIKey

InChIKey=PIFVFPGKGMSXER-SSCQFUQXSA-N

Formula

C22H24N6O11S3

Mass

644.65

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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

N-acyl-alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Pyridine - Pyridinium - 1,3-thiazol-2-amine - Azole - Beta-lactam - Organic sulfuric acid or derivatives - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous ester - Thiazole - Azetidine - Carboxamide group - Ketone - Lactam - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Azacycle - Oxacycle - Sulfenyl compound - Thioether - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organic zwitterion - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Amine - Organic oxide - Carbonyl group - Organooxygen compound - Organic salt - Organosulfur compound - Primary amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

External Descriptors

Not available

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