Structure Information
Structure

Compound Identification

SMILES

CC(=O)CC(=O)OCC1=C(N2[C@@H](SC1)[C@H](NC(=O)C=NOC(C)(CC1=CSC(NC(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)=N1)C(=O)OC(C)(C)C)C2=O)C(O)=O

InChIKey

InChIKey=JNGVCRVMKQSIPC-VGNGFEAYSA-N

Formula

C44H45N5O10S2

Mass

867.99

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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

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin 3'-ester - Triphenyl compound - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Beta-keto acid - Fatty acid ester - Secondary aliphatic/aromatic amine - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Fatty acyl - Benzenoid - 1,3-dicarbonyl compound - Keto acid - Meta-thiazine - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Carboxylic acid ester - Ketone - Oxime ether - Tertiary amine - Secondary carboxylic acid amide - Dialkylthioether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hemithioaminal - Thioether - Secondary amine - Organic nitrogen compound - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic 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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