Compound Identification
SMILES
CCOC(=O)CO\N=C(/C(=O)NC1[C@H]2SCC(CSC3=NNN=N3)=C(N2C1=O)C(O)=O)C1=CSC(NC=O)=N1
InChIKey
InChIKey=QRKWUFFQTRUHJN-YXRVHXKXSA-N
Formula
C19H19N9O8S3
Mass
597.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
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Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Cephems
Direct Parent
Cephalosporins
Alternative Parents
N-acyl-alpha amino acids and derivatives N-arylamides 2,4-disubstituted thiazoles Alkylarylthioethers 1,3-thiazines Dicarboxylic acids and derivatives Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Carboxylic acid esters Carboxylic acids Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Dialkylthioethers Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - N-arylamide - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Meta-thiazine - Dicarboxylic acid or derivatives - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Tetrazole - Thiazole - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Azetidine - Azacycle - Dialkylthioether - Carboxylic acid derivative - Sulfenyl compound - Carboxylic acid - Hemithioaminal - Thioether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organonitrogen compound - Organooxygen 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