Compound Identification
SMILES
O=C(CC1=CC=CC=C1)NC1[C@H]2SCC(SC3=CC(=O)C4=CC=CC=C4S3)=C(N2C1=O)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=TYTVWRBKNOYVBW-HDVWAADTSA-N
Formula
C37H28N2O5S3
Mass
676.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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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 Diphenylmethanes Thiochromenes Phenylacetamides Benzyloxycarbonyls 1-benzothiopyrans Aryl thioethers Vinylogous thioesters 1,3-thiazines Tertiary carboxylic acid amides Heteroaromatic compounds Enoate esters Thioenol ethers Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Diphenylmethane - Thiochromene - Alpha-amino acid or derivatives - Phenylacetamide - Benzyloxycarbonyl - 1-benzothiopyran - Benzothiopyran - Aryl thioether - Vinylogous thioester - Meta-thiazine - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Heteroaromatic compound - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thioenolether - Sulfenyl compound - Monocarboxylic acid or derivatives - Dialkylthioether - Azacycle - Carboxylic acid derivative - Hemithioaminal - Thioether - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxide - 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