Structure Information
Structure

Compound Identification

SMILES

CC1=NC2=NC(=NN2C(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N/OCC2=C(C=CC4=C2OC(C)(C)O4)C(=O)OC(C)(C)C)\C2=CSC(N)=N2)C3=O)C(=O)OC(C2=CC=CC=C2)C2=CC=CC=C2)=C1)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=BVXPPVJHRBNCPL-VNCMJOBMSA-N

Formula

C61H55N9O11S3

Mass

1186.34

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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 - Diphenylmethane - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Triazolopyrimidine - Tricarboxylic acid or derivatives - Benzodioxole - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Ketal - Alkylarylthioether - Pyrimidine - Primary aromatic amine - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - Azole - 1,2,4-triazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Thiazole - Triazole - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Sulfenyl compound - Dialkylthioether - Oxacycle - Carboxylic acid derivative - Acetal - Azacycle - Amine - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - 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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