Compound Identification
SMILES
OC(=O)CC1=NN=C(O1)SCC1=C(N2[C@@H](SC1)C(NC(=O)C(OC=O)C1=CC=CC=C1)C2=O)C(O)=O
InChIKey
InChIKey=FRKUPBZLVIIMHO-KJXMEXGPSA-N
Formula
C21H18N4O9S2
Mass
534.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Lactams
-
Subclass
Beta lactams
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Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
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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 Tricarboxylic acids and derivatives Alkylarylthioethers 1,3-thiazines Tertiary carboxylic acid amides 1,3,4-oxadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Carboxylic acid esters Thiohemiaminal derivatives Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Tricarboxylic acid or derivatives - Aryl thioether - Alkylarylthioether - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Sulfenyl compound - Dialkylthioether - Carboxylic acid - Oxacycle - Carboxylic acid derivative - Azacycle - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organonitrogen 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