Structure Information
Structure

Compound Identification

SMILES

CC1=C(N2[C@@H](SC1)[C@H](N(C(=O)CNC(=O)OC(C)(C)C)C1=C3C=CSC3=CC=C1)C2=O)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=OXUXYQSIPSOMBN-VPUSJEBWSA-N

Formula

C30H30N4O8S2

Mass

638.71

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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

Alpha amino acid amides Benzyloxycarbonyls 1-benzothiophenes Nitrobenzenes Nitroaromatic compounds 1,3-thiazines Thiophenes Tertiary carboxylic acid amides Carbamate esters Enoate esters Heteroaromatic compounds Azetidines Thiohemiaminal derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Dialkylthioethers Monocarboxylic acids and derivatives Organopnictogen compounds Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic salts Organic cations

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephalosporin - Alpha-amino acid amide - Benzyloxycarbonyl - Alpha-amino acid or derivatives - Nitrobenzene - Benzothiophene - 1-benzothiophene - Nitroaromatic compound - Meta-thiazine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Carbamic acid ester - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Azetidine - Azacycle - Dialkylthioether - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hemithioaminal - Thioether - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen 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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