Compound Identification
SMILES
CC(NC(=O)OC(C)(C)C)OC(=O)OC1=C(Cl)C=C(CC(=O)NC2[C@@H]3SCC(CSC4=NN=CS4)=C(N3C2=O)C(O)=O)C=C1
InChIKey
InChIKey=VJEKAQUAVVDZGU-HBCUQSJWSA-N
Formula
C26H28ClN5O9S3
Mass
686.17
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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 Phenylacetamides Phenoxy compounds Alkylarylthioethers Chlorobenzenes 1,3-thiazines Aryl chlorides Carbonic acid diesters Tertiary carboxylic acid amides Carbamate esters Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Thiohemiaminal derivatives Carboxylic acids Dialkylthioethers Organochlorides Carbonyl compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Phenoxy compound - Aryl thioether - Halobenzene - Chlorobenzene - Alkylarylthioether - Meta-thiazine - Aryl chloride - Aryl halide - Carbonic acid diester - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Thiadiazole - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Carbonic acid derivative - Azacycle - Dialkylthioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Hemithioaminal - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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