Compound Identification
SMILES
OC(=O)COC1=CC2=C(C=C1)C1(OC(=O)C3=CC=CC=C13)C1=C(O2)C=C(OCC2=C(N3C(SC2)C(NC(=O)CC2=CC=CS2)C3=O)C(=O)OCC=C)C=C1
InChIKey
InChIKey=PUQRVXJRDOLWKU-UHFFFAOYSA-N
Formula
C39H30N2O11S2
Mass
766.79
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Xanthenes N-acyl-alpha amino acids and derivatives Diarylethers Phenoxyacetic acid derivatives Benzofuranones Phthalides Isobenzofurans Phenol ethers Alkyl aryl ethers 1,3-thiazines Dicarboxylic acids and derivatives Thiophenes Enoate esters Heteroaromatic compounds Tertiary carboxylic acid amides Azetidines Lactones Secondary carboxylic acid amides Azacyclic compounds Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Oxacyclic compounds Organonitrogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - Dibenzopyran - Xanthene - N-acyl-alpha amino acid or derivatives - Diaryl ether - Phenoxyacetate - Alpha-amino acid or derivatives - Benzofuranone - Isobenzofuranone - Benzopyran - Phthalide - 1-benzopyran - Isocoumaran - Isobenzofuran - Phenol ether - Alkyl aryl ether - Meta-thiazine - Dicarboxylic acid or derivatives - Benzenoid - Heteroaromatic compound - Thiophene - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Lactone - Azetidine - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Hemithioaminal - Thioether - Dialkylthioether - Ether - Azacycle - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen 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