Compound Identification
SMILES
NCCSCC1=C(SC2=C(N3C(SC2)[C@H](NC(=O)C(=N/O)\C2=C(Cl)SC(N)=N2)C3=O)C(O)=O)SC(SCCN)=N1
InChIKey
InChIKey=JIHSMGCFJYLXNW-SMVRRGSSSA-N
Formula
C20H23ClN8O5S6
Mass
683.27
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 2,4,5-trisubstituted thiazoles Alkylarylthioethers Vinylogous thioesters Aryl chlorides 1,3-thiazines 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Ketoximes Heteroaromatic compounds Thioenol ethers Azetidines Secondary carboxylic acid amides Amino acids Dialkylthioethers Carboxylic acids Monocarboxylic acids and derivatives Sulfenyl compounds Azacyclic compounds Thiohemiaminal derivatives Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4,5-trisubstituted 1,3-thiazole - Alkylarylthioether - Meta-thiazine - Aryl chloride - Aryl halide - 1,3-thiazol-2-amine - Vinylogous thioester - Heteroaromatic compound - Azole - Ketoxime - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Thioenolether - Thioether - Hemithioaminal - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid - Dialkylthioether - Organooxygen compound - Primary aliphatic amine - Organohalogen compound - Amine - Carbonyl group - Organochloride - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Primary amine - 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