Compound Identification
SMILES
OC(=O)C1=C(CSC2=NN=NN2CC#C)CS[C@@H]2[C@@H](NC(=O)[C@H](OC=O)C3=CC=CC=C3)C(=O)N12
InChIKey
InChIKey=DKSDYFGZJVAYRF-ZSZQSSIHSA-N
Formula
C21H18N6O6S2
Mass
514.53
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 Benzyloxycarbonyls Phenylacetamides Alkylarylthioethers 1,3-thiazines Dicarboxylic acids and derivatives Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Carboxylic acid esters Sulfenyl compounds Acetylides Azacyclic compounds Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Aryl thioether - Alkylarylthioether - Meta-thiazine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Acetylide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Dialkylthioether - Sulfenyl compound - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - 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