Compound Identification
SMILES
NC(=O)C1=CC=[N+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)CC2=CC=CS2)C3=O)C([O-])=O)C=C1
InChIKey
InChIKey=FMZXNVLFJHCSAF-DNVCBOLYSA-N
Formula
C20H18N4O5S2
Mass
458.51
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 Pyridinecarboxylic acids and derivatives 1,3-thiazines Pyridinium derivatives Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Azetidines Carboxylic acid salts Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Pyridine carboxylic acid or derivatives - Meta-thiazine - Pyridine - Pyridinium - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid salt - Primary carboxylic acid amide - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Dialkylthioether - Hemithioaminal - Thioether - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic salt - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic zwitterion - Organic oxide - Organic nitrogen 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