Compound Identification
SMILES
C[N+]1(C\C=C\C2=C(N3[C@H](SC2)[C@H](NC(=O)CSC2=CC=CC=C2)C3=O)C(O)=O)CCCC1
InChIKey
InChIKey=JRNZKZVDTIJKCM-WZRDUFFMSA-O
Formula
C23H28N3O4S2
Mass
474.61
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 Alkylarylthioethers 1,3-thiazines Benzene and substituted derivatives N-alkylpyrrolidines Tetraalkylammonium salts Tertiary carboxylic acid amides Azetidines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Sulfenyl compounds Thiohemiaminal derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Amines Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Thiophenol ether - Alkylarylthioether - Meta-thiazine - N-alkylpyrrolidine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Quaternary ammonium salt - Pyrrolidine - Tetraalkylammonium salt - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Hemithioaminal - Thioether - Amine - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - 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