Structure Information
Structure

Compound Identification

SMILES

CC1=NN=C(SCC2=C(N3[C@H](SC2)[C@@H](NC(=O)C2=CC=C(COC4=CC=C(F)C=C4)O2)C3=O)C(O)=O)S1

InChIKey

InChIKey=YXVNTTWFDYCVSB-LAUBAEHRSA-N

Formula

C23H19FN4O6S3

Mass

562.61

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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 - Cephem - 2-heteroaryl carboxamide - Furoic acid or derivatives - Phenoxy compound - Aryl thioether - Phenol ether - Furancarboxamide - Halobenzene - Alkyl aryl ether - Fluorobenzene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Aryl fluoride - Meta-thiazine - Aryl halide - Furan - Beta-lactam - Thiadiazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Lactam - Azetidine - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Carboxylic acid - Hemithioaminal - Ether - Thioether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organofluoride - Organohalogen compound - 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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