Structure Information
Structure

Compound Identification

SMILES

C[N+](C)(C)CCSCC1=C(SC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N/O)\C2=C(Cl)SC(N)=N2)C3=O)C(O)=O)C=CN=C1

InChIKey

InChIKey=HQAYYHIPFNIETA-IIBYNOLFSA-O

Formula

C23H27ClN7O5S4

Mass

645.2

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactams

Subclass

Beta lactams

Intermediate Tree Nodes

Cephems

Direct Parent

Cephalosporins

Alternative Parents

N-acyl-alpha amino acids and derivatives 2,4,5-trisubstituted thiazoles Aryl thioethers Vinylogous thioesters 1,3-thiazines 2-amino-1,3-thiazoles Aryl chlorides Pyridines and derivatives Tetraalkylammonium salts Tertiary carboxylic acid amides Heteroaromatic compounds Ketoximes Thioenol ethers Amino acids Secondary carboxylic acid amides Azetidines Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Organochlorides Carbonyl compounds Primary amines Hydrocarbon derivatives Organic oxides Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4,5-trisubstituted 1,3-thiazole - Meta-thiazine - Pyridine - Aryl halide - Aryl chloride - 1,3-thiazol-2-amine - Vinylogous thioester - Ketoxime - Tetraalkylammonium salt - Quaternary ammonium salt - Tertiary carboxylic acid amide - Thiazole - Azole - Heteroaromatic compound - Thioenolether - Amino acid or derivatives - Carboxamide group - Amino acid - Azetidine - Secondary carboxylic acid amide - Azacycle - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Carboxylic acid derivative - Carboxylic acid - Thioether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Primary amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.

External Descriptors

Not available

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