Structure Information
Structure

Compound Identification

SMILES

C[C@H](ON=C(C(=O)NC1[C@@H]2SCC(CSC3=NC(=N)CC(N)N3C)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1)C(O)=O

InChIKey

InChIKey=KMBSSJCPHFXYEQ-SEOIFJFNSA-N

Formula

C21H25N9O7S3

Mass

611.67

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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 - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - 1,3-thiazol-2-amine - 1,4,5,6-tetrahydropyrimidine - Dicarboxylic acid or derivatives - Hydropyrimidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Azole - Carboxamide group - Isothiourea - Azetidine - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Amino acid - Azacycle - Dialkylthioether - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Hemithioaminal - Thioether - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - 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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