Compound Identification
SMILES
O=C(CC1=CC=CC=C1)N[C@H]1[C@H]2SCC(C3=CN=C(SC4=CC=CC=C4)S3)=C(N2C1=O)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=NKLWUHRXAIUSDP-CYEXUTLASA-N
Formula
C37H29N3O4S3
Mass
675.84
Taxonomic Classification
Taxonomy Tree
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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
Diphenylmethanes N-acyl-alpha amino acids and derivatives Diarylthioethers Phenylacetamides Benzyloxycarbonyls Thiophenol ethers 2,5-disubstituted thiazoles 1,3-thiazines Tertiary carboxylic acid amides Heteroaromatic compounds Enoate esters Secondary carboxylic acid amides Azetidines Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Thiohemiaminal derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Diphenylmethane - Diarylthioether - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Aryl thioether - Thiophenol ether - 2,5-disubstituted 1,3-thiazole - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Thiazole - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thioether - Monocarboxylic acid or derivatives - Hemithioaminal - Sulfenyl compound - Carboxylic acid derivative - Dialkylthioether - Azacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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