Compound Identification
SMILES
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(CSC3=CC(=O)C4=CC(OC)=C(OC)C=C4S3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1
InChIKey
InChIKey=KIMHZFHPZZAWHL-KUINTPDISA-N
Formula
C25H23N5O8S4
Mass
649.73
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Lactams
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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 Thiochromenes 1-benzothiopyrans Anisoles 2,4-disubstituted thiazoles Alkyl aryl ethers Alkylarylthioethers Vinylogous thioesters 1,3-thiazines 2-amino-1,3-thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Carboxylic acids Organic oxides Primary amines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Thiochromene - Alpha-amino acid or derivatives - 1-benzothiopyran - Benzothiopyran - Aryl thioether - Anisole - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Alkylarylthioether - Meta-thiazine - Benzenoid - 1,3-thiazol-2-amine - Vinylogous thioester - Azole - Thiazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Sulfenyl compound - Monocarboxylic acid or derivatives - Ether - Dialkylthioether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Primary amine - Amine - 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