Structure Information
Structure

Compound Identification

SMILES

NCCN(CC1=CC=CC=C1)CC1=CC=CC=C1.CON=C(C(=O)NC1[C@@H]2SCC(CSC3=NC(=O)C(=O)NN3C)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1

InChIKey

InChIKey=NQNKQHZJABVZKX-CWCYIFMKSA-N

Formula

C34H38N10O7S3

Mass

794.92

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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 Phenylmethylamines Benzylamines 2,4-disubstituted thiazoles Alkylarylthioethers Aralkylamines 1,2,4-triazines 1,3-thiazines 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Not available

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylmethylamine - Aryl thioether - Benzylamine - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Aralkylamine - Meta-thiazine - Triazine - Benzenoid - Monocyclic benzene moiety - 1,3-thiazol-2-amine - 1,2,4-triazine - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - Thiazole - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Tertiary aliphatic amine - Secondary carboxylic acid amide - Tertiary amine - Thioether - Hemithioaminal - Sulfenyl compound - Monocarboxylic acid or derivatives - Azacycle - Dialkylthioether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Amine - Carbonyl group - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - Primary amine - Organic oxygen compound - Organonitrogen 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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