Compound Identification
SMILES
NC(N)=N[C@@H](CCC[N+]1=CC=C(SCC2=C(N3[C@H](SC2)[C@@H](NC(=O)CSC2=C(Cl)C=CC(Cl)=C2)C3=O)C(O)=O)C=C1)C(O)=O
InChIKey
InChIKey=FIAKJUBGCSLLFY-NSXLHWASSA-O
Formula
C27H29Cl2N6O6S3
Mass
700.64
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 Thiophenol ethers Dichlorobenzenes Alkylarylthioethers 1,3-thiazines Aryl chlorides Dicarboxylic acids and derivatives Pyridinium derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Guanidines Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Carboximidamides Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Organochlorides Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 1,4-dichlorobenzene - Aryl thioether - Thiophenol ether - Chlorobenzene - Alkylarylthioether - Halobenzene - Pyridinium - Pyridine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Dicarboxylic acid or derivatives - Meta-thiazine - Tertiary carboxylic acid amide - Heteroaromatic compound - Secondary carboxylic acid amide - Guanidine - Carboxamide group - Azetidine - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Carboximidamide - Hemithioaminal - Thioether - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Organic cation - 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