Compound Identification
SMILES
CN1N=NN=C1SCC1=C(N2C(SC1)C(NC(=O)C(OC=O)C1=CC=CC=C1)C2=O)C([O-])=O
InChIKey
InChIKey=RRJHESVQVSRQEX-UHFFFAOYSA-M
Formula
C19H17N6O6S2
Mass
489.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
-
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 Dicarboxylic acids and derivatives 1,3-thiazines Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Azetidines Sulfenyl compounds Thiohemiaminal derivatives Carboxylic acids Azacyclic compounds Dialkylthioethers Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Benzyloxycarbonyl - Aryl thioether - Alkylarylthioether - Meta-thiazine - Dicarboxylic acid or derivatives - Benzenoid - Monocyclic benzene moiety - Azole - Tertiary carboxylic acid amide - Tetrazole - Heteroaromatic compound - Carboxylic acid ester - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Hemithioaminal - Thioether - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic anion - 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