Compound Identification
SMILES
NCCNC1=NC(CSCCN)=C(SC2=C(N3C(SC2)[C@H](NC(=O)C(=N/O)\C2=C(Cl)SC(N)=N2)C3=O)C(O)=O)S1
InChIKey
InChIKey=WGDPTJCVARVGSO-QTIGKVCKSA-N
Formula
C20H24ClN9O5S5
Mass
666.22
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
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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 Aryl thioethers 2,4,5-trisubstituted thiazoles Vinylogous thioesters 1,3-thiazines Aryl chlorides 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 - Meta-thiazine - 1,3-thiazol-2-amine - Vinylogous thioester - Aryl halide - Aryl chloride - Heteroaromatic compound - Azole - Ketoxime - Tertiary carboxylic acid amide - Thiazole - Amino acid - Amino acid or derivatives - Carboxamide group - Azetidine - Secondary carboxylic acid amide - Thioenolether - Carboxylic acid - Azacycle - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Carboxylic acid derivative - Thioether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary aliphatic amine - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen 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