Compound Identification
SMILES
C=CCOC(=O)C1=C(COC2=CC=CC=C2C2=NC(=O)C3=CC=CC=C3N2)CSC2C(NC(=O)CC3=CC=CS3)C(=O)N12
InChIKey
InChIKey=OAAOTNHTOPQLTK-UHFFFAOYSA-N
Formula
C31H26N4O6S2
Mass
614.69
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
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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 Quinazolines Phenoxy compounds Phenol ethers Pyrimidones Alkyl aryl ethers 1,3-thiazines Vinylogous amides Thiophenes Tertiary carboxylic acid amides Enoate esters Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Quinazoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Meta-thiazine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Thiophene - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Vinylogous amide - Heteroaromatic compound - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Dialkylthioether - Hemithioaminal - Thioether - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - 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