Structure Information
Structure

Compound Identification

SMILES

CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CCCC(N)C(O)=O)C2=O)C([O-])=O

InChIKey

InChIKey=HOKIDJSKDBPKTQ-UHFFFAOYSA-M

Formula

C16H20N3O8S

Mass

414.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Lactams

Subclass

Beta lactams

Intermediate Tree Nodes

Cephems - Cephalosporins

Direct Parent

Cephalosporin 3'-esters

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Meta-thiazine - Fatty acyl - Fatty amide - N-acyl-amine - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Dialkylthioether - Carboxylic acid - Hemithioaminal - Thioether - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Primary aliphatic amine - Amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - Organic anion - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cephalosporin 3'-esters. These are cephalosporins that are esterified at the 3'-position.

External Descriptors

Not available

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