Compound Identification
SMILES
CCO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC3=CC(=O)C4=CC(O)=C(O)C=C4S3)=C(N2C1=O)C(O)=O)C1=NSC(N)=N1
InChIKey
InChIKey=CTOYSWYKZBWLDI-YIKVILGGSA-N
Formula
C23H20N6O8S4
Mass
636.69
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Lactams
-
Subclass
Beta lactams
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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 Thiochromenes 1-benzothiopyrans 1-hydroxy-2-unsubstituted benzenoids Alkylarylthioethers Vinylogous thioesters 1,3-thiazines Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Primary amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Thiochromene - Alpha-amino acid or derivatives - Benzothiopyran - 1-benzothiopyran - Aryl thioether - Alkylarylthioether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous thioester - Benzenoid - Meta-thiazine - Heteroaromatic compound - Azole - Thiadiazole - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Amino acid - Azetidine - Carboxamide group - Amino acid or derivatives - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Organic oxide - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary amine - 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