Compound Identification
SMILES
CC(O\N=C(/C(=O)NC1[C@H]2SCC(CSC3=NN=CS3)=C(N2C1=O)C(O)=O)C1=NSC(N)=N1)C(=O)OC(C)(C)C
InChIKey
InChIKey=KMJIKZQGFZOMJL-FAVPFOOJSA-N
Formula
C21H24N8O7S4
Mass
628.71
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 Alkylarylthioethers 1,3-thiazines Dicarboxylic acids and derivatives Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids Azetidines Carboxylic acid esters Secondary carboxylic acid amides Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Carbonyl compounds Primary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Alkylarylthioether - Meta-thiazine - Dicarboxylic acid or derivatives - Azole - Thiadiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid - Carboxamide group - Carboxylic acid ester - Amino acid or derivatives - Secondary carboxylic acid amide - Azetidine - Azacycle - Dialkylthioether - Carboxylic acid derivative - Sulfenyl compound - Carboxylic acid - Hemithioaminal - Thioether - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Organonitrogen compound - Organooxygen compound - Organosulfur 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