Structure Information
Structure

Compound Identification

SMILES

OC1=C(N2[C@@H](SC1)C(NC(=O)CC1=CN=C(NC(=O)CCl)S1)C2=O)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=DTKJFOBZCUCCQP-CVMIBEPCSA-N

Formula

C21H18ClN5O8S2

Mass

567.97

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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 Benzyloxycarbonyls Nitrobenzenes Nitroaromatic compounds N-arylamides 2,5-disubstituted thiazoles 1,3-thiazines Vinylogous acids Chloroacetamides Tertiary carboxylic acid amides Enoate esters Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Monocarboxylic acids and derivatives Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Thiohemiaminal derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Alkyl chlorides Organic zwitterions Organochlorides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - N-arylamide - 2,5-disubstituted 1,3-thiazole - Meta-thiazine - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Thiazole - Chloroacetamide - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Azole - Azetidine - Secondary carboxylic acid amide - Organic nitro compound - Carboxylic acid ester - Carboxamide group - C-nitro compound - Azacycle - Dialkylthioether - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Organic oxoazanium - Organic oxide - Alkyl halide - Alkyl chloride - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Organic salt - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen 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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