Compound Identification
SMILES
COC1=CC=C(COC(=O)C2=C(CSC3=C(C(O)=O)C(=O)NS3)CSC3C(NC(=O)C(=N/OC(C(=O)OC(C4=CC=CC=C4)C4=CC=CC=C4)C4=CC(O)=C(O)C=C4)\C4=CSC(N)=N4)C(=O)N23)C=C1
InChIKey
InChIKey=BUZXKBFYXVPQFY-LNTFTDIZSA-N
Formula
C46H38N6O13S4
Mass
1011.08
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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
Diphenylmethanes N-acyl-alpha amino acids and derivatives Benzyloxycarbonyls Anisoles Catechols Methoxybenzenes Phenoxy compounds Thiazolecarboxylic acids and derivatives 2,4-disubstituted thiazoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Alkylarylthioethers 1-hydroxy-2-unsubstituted benzenoids 2-amino-1,3-thiazoles 1,3-thiazines Vinylogous thioesters Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Enoate esters Vinylogous amides Azetidines Amino acids Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Thiohemiaminal derivatives Carboxylic acids Dialkylthioethers Organic oxides Hydrocarbon derivatives Primary amines Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Diphenylmethane - Benzyloxycarbonyl - Alpha-amino acid or derivatives - Thiazolecarboxylic acid or derivatives - Phenoxy compound - Phenol ether - Aryl thioether - Catechol - Anisole - Methoxybenzene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Meta-thiazine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Vinylogous thioester - 1,3-thiazol-2-amine - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Azole - Tertiary carboxylic acid amide - Thiazole - Amino acid - Azetidine - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Azacycle - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen 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