Compound Identification
SMILES
CON=C(C(=O)N[C@H]1[C@H]2SCC(COC(=O)C3=CN(C4CC4)C4=CC(N5CCNCC5)=C(F)C=C4C3=O)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1
InChIKey
InChIKey=MPWTZPXSZLWXHL-QDPGVEIFSA-N
Formula
C31H31FN8O8S2
Mass
726.76
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
N-acyl-alpha amino acids and derivatives Fluoroquinolones N-arylpiperazines Aminoquinolines and derivatives Haloquinolines Hydroquinolones Hydroquinolines Pyridinecarboxylic acids Dialkylarylamines 2,4-disubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Aryl fluorides Benzenoids Heteroaromatic compounds Vinylogous amides Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Amino acids Carboxylic acid esters Monocarboxylic acids and derivatives Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Dialkylamines Carboxylic acids Organofluorides Hydrocarbon derivatives Organic oxides Carbonyl compounds Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Fluoroquinolone - N-arylpiperazine - Haloquinoline - Aminoquinoline - Dihydroquinolone - Alpha-amino acid or derivatives - Dihydroquinoline - Quinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - Aryl fluoride - Aryl halide - 1,4-diazinane - 1,3-thiazol-2-amine - Piperazine - Pyridine - Benzenoid - Vinylogous amide - Thiazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Tertiary amine - Amino acid - Secondary carboxylic acid amide - Amino acid or derivatives - Azetidine - Azacycle - Monocarboxylic acid or derivatives - Secondary amine - Secondary aliphatic amine - Hemithioaminal - Carboxylic acid - Dialkylthioether - Carboxylic acid derivative - Thioether - Primary amine - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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