Compound Identification
SMILES
COC1=CC=C(COC(=O)C2=C(CS[C@@H]3[C@H](NC(=O)CC4=CC=CC=C4)C(=O)N23)OS(=O)(=O)C2=CC=C(C)C=C2)C=C1
InChIKey
InChIKey=REOSRAMRJNSRGG-GGXMVOPNSA-N
Formula
C30H28N2O8S2
Mass
608.68
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
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
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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 p-Methylbenzenesulfonates Benzenesulfonate esters Tosyl compounds Benzyloxycarbonyls Phenylacetamides Arylsulfonic acids and derivatives Benzenesulfonyl compounds Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 1,3-thiazines Organosulfonic acid esters Enoate esters Sulfonyls Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Thiohemiaminal derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Benzenesulfonate ester - P-methylbenzenesulfonate - Benzenesulfonate - Tosyl compound - Alpha-amino acid or derivatives - Phenylacetamide - Benzyloxycarbonyl - Benzenesulfonyl group - Arylsulfonic acid or derivatives - Methoxybenzene - Phenol ether - Anisole - Phenoxy compound - Alkyl aryl ether - Toluene - Organosulfonic acid ester - Meta-thiazine - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary carboxylic acid amide - Sulfonyl - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Azacycle - Thioether - Dialkylthioether - Carboxylic acid derivative - Hemithioaminal - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organic oxide - Organosulfur compound - Organic oxygen 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