Compound Identification
SMILES
CO\N=C(/C(=O)N[C@H]1[C@@H]2SCC(C[N+]3=CC=CC=C3C)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1
InChIKey
InChIKey=UVKMJSSCRPUEFX-CDCFWPAKSA-N
Formula
C20H20N6O5S2
Mass
488.54
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 Methylpyridines 2,4-disubstituted thiazoles 2-amino-1,3-thiazoles 1,3-thiazines Pyridinium derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Amino acids Secondary carboxylic acid amides Carboxylic acid salts Monocarboxylic acids and derivatives Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Methylpyridine - Meta-thiazine - 1,3-thiazol-2-amine - Pyridine - Pyridinium - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Dialkylthioether - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organic salt - Organonitrogen compound - Organic zwitterion - Organooxygen 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