Structure Information
Structure

Compound Identification

SMILES

CO[C@]1(NC(=O)C(N(C(N)=O)C2=CN=C(NC(C)C)NC2=O)C2=CC=C(O)C=C2)[C@@H]2SCC(CSC3=NN=NN3C)=C(N2C1=O)C(O)=O

InChIKey

InChIKey=ITPWKNCNKSOLKX-SONKQBNFSA-N

Formula

C27H31N11O8S2

Mass

701.73

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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

Cephamycins

Alternative Parents

N-acyl-alpha amino acids and derivatives Phenylacetamides 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Aminopyrimidines and derivatives Secondary alkylarylamines Pyrimidones 1,3-thiazines Hydropyrimidines Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Tertiary amines Amino acids Azetidines Secondary carboxylic acid amides Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Sulfenyl compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cephamycin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - Aminopyrimidine - Phenol - Pyrimidone - Secondary aliphatic/aromatic amine - Alkylarylthioether - Meta-thiazine - Monocyclic benzene moiety - Hydropyrimidine - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Secondary carboxylic acid amide - Amino acid or derivatives - Urea - Tertiary amine - Amino acid - Azetidine - Carboxamide group - Secondary amine - Azacycle - Dialkylthioether - Thioether - Sulfenyl compound - Monocarboxylic acid or derivatives - Hemithioaminal - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cephamycins. These are compounds containing a the cephalosporin (oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid) nucleus, with an alkyloxy group attached to the C6 carbon atom.

External Descriptors

Not available

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