Compound Identification
SMILES
O=C(CC1=CC=CS1)N[C@H]1[C@H]2SCC(CS(=O)(=O)C3=NC(CC(=O)OC(C4=CC=CC=C4)C4=CC=CC=C4)=CS3)=C(N2C1=O)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=GYEAESNUEBDHAB-BVXKYASOSA-N
Formula
C45H37N3O8S4
Mass
876.04
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 Diphenylmethanes Benzyloxycarbonyls 2,4-disubstituted thiazoles 1,3-thiazines Dicarboxylic acids and derivatives Thiophenes Tertiary carboxylic acid amides Sulfones Heteroaromatic compounds Enoate esters Secondary carboxylic acid amides Azetidines Dialkylthioethers Thiohemiaminal derivatives Azacyclic compounds Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Diphenylmethane - Alpha-amino acid or derivatives - Benzyloxycarbonyl - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Thiophene - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Thiazole - Tertiary carboxylic acid amide - Sulfonyl - Sulfone - Heteroaromatic compound - Azole - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Carboxylic acid derivative - Dialkylthioether - Azacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organonitrogen 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