Structure Information
Structure

Compound Identification

SMILES

CN[N+]1=CC=C(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N/O[C@@H](C(O)=O)C2=CC(O)=C(O)C=C2)\C2=CSC(N)=N2)C3=O)C(O)=O)C=C1

InChIKey

InChIKey=YNDZMNDTQCDTBB-ZILOHOTNSA-O

Formula

C27H26N7O9S3

Mass

688.72

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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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Catechol - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkylarylthioether - Meta-thiazine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Pyridine - Pyridinium - Benzenoid - 1,3-thiazol-2-amine - Azole - Thiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azetidine - Carboxamide group - Amino acid - Secondary carboxylic acid amide - Amino acid or derivatives - Sulfenyl compound - Hemithioaminal - Thioether - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Amine - Primary amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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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