Structure Information
Structure

Compound Identification

SMILES

CC(N)C(=O)OC(C(=O)NC1C2SCC(CSC3=NN=C(C)S3)=C(N2C1=O)C(=O)OCC1=C(C)OC(=O)O1)C1=CC=CC=C1

InChIKey

InChIKey=AMMYEZPDRKXESR-UHFFFAOYSA-N

Formula

C27H27N5O9S3

Mass

661.72

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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

Alpha amino acid esters N-acyl-alpha amino acids and derivatives Alanine and derivatives Benzyloxycarbonyls Phenylacetamides Alkylarylthioethers 1,3-thiazines Carbonic acid diesters Dicarboxylic acids and derivatives Thiadiazoles Tertiary carboxylic acid amides Enoate esters Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Dialkylthioethers Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alanine or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Aryl thioether - Alkylarylthioether - Meta-thiazine - Dicarboxylic acid or derivatives - Carbonic acid diester - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Azole - Tertiary carboxylic acid amide - Thiadiazole - Heteroaromatic compound - Enoate ester - Secondary carboxylic acid amide - Carboxylic acid ester - Azetidine - Carboxamide group - Amino acid or derivatives - Dialkylthioether - Oxacycle - Carboxylic acid derivative - Thioether - Hemithioaminal - Sulfenyl compound - Azacycle - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen 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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