Structure Information
Structure

Compound Identification

SMILES

CO\N=C(/C(=O)N[C@H]1[C@@H]2SCC(S[C@H]3CCOC3=O)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C1=CSC(N)=N1

InChIKey

InChIKey=AADULIIYHMBFQC-RAEXNDOWSA-N

Formula

C23H27N5O9S3

Mass

613.68

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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 Tricarboxylic acids and derivatives 2,4-disubstituted thiazoles Acylals Vinylogous thioesters 1,3-thiazines 2-amino-1,3-thiazoles Primary aromatic amines Gamma butyrolactones Tertiary carboxylic acid amides Oxolanes Enoate esters Heteroaromatic compounds Thioenol ethers Secondary carboxylic acid amides Azetidines Oxacyclic compounds Dialkylthioethers Sulfenyl compounds Azacyclic compounds Thiohemiaminal derivatives Acetals Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Acylal - Meta-thiazine - Primary aromatic amine - Gamma butyrolactone - 1,3-thiazol-2-amine - Vinylogous thioester - Oxolane - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Azole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Lactone - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azetidine - Thioenolether - Carboxylic acid ester - Acetal - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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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