Compound Identification
SMILES
OC(=O)C1=C(CS(=O)[C@H]2C(NC(=O)CC3=CC=CC=C3)C(=O)[N+]12CS)N1C=CN=N1
InChIKey
InChIKey=ASPVCFPCTGEUDA-YHZBEMTBSA-O
Formula
C18H18N5O5S2
Mass
448.49
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 Phenylacetamides 1,3-thiazines Vinylogous amides Heteroaromatic compounds Triazoles Quaternary ammonium salts Sulfoxides Azetidines Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Alkylthiols Carboxylic acids Sulfinyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Quaternary ammonium salt - 1,2,3-triazole - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Sulfoxide - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Carboxylic acid derivative - Alkylthiol - Sulfinyl compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organosulfur compound - Organic oxygen 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