Compound Identification
SMILES
CCOC(=O)C1=CC=C(C=C1)[C@H](OC(=O)CCl)C(=O)N[C@@H]1[C@H]2SCC(CSC3=NN=NN3C)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=IHKIQNTVBHSMGV-RIFZZMRRSA-N
Formula
C23H23ClN6O8S2
Mass
611.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
-
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 Benzoic acid esters Benzyloxycarbonyls Phenylacetamides Benzoyl derivatives Alkylarylthioethers 1,3-thiazines Dicarboxylic acids and derivatives Alpha-halocarboxylic acid derivatives Heteroaromatic compounds Tetrazoles Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Carboxylic acid esters Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Sulfenyl compounds Carbonyl compounds Alkyl chlorides Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzoate ester - Benzyloxycarbonyl - Phenylacetamide - Benzoic acid or derivatives - Benzoyl - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Meta-thiazine - Dicarboxylic acid or derivatives - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Thioether - Azacycle - Dialkylthioether - Carboxylic acid derivative - Hemithioaminal - Carboxylic acid - Sulfenyl compound - Alkyl halide - Organic oxygen compound - Alkyl chloride - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Carbonyl group - Organohalogen compound - Organonitrogen compound - Organosulfur compound - Organooxygen compound - Organic nitrogen 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