Compound Identification
SMILES
CCSC(O\N=C(\C(=O)N[C@H]1[C@H]2SCC(CSC3=C(C(O)=O)C(=O)NS3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1)C(O)=O
InChIKey
InChIKey=APGDMZZWXHCRDI-DYAAMTGLSA-N
Formula
C21H20N6O10S5
Mass
676.72
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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 Thiazolecarboxylic acids and derivatives 2,4-disubstituted thiazoles Alkylarylthioethers Vinylogous thioesters 1,3-thiazines 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Dialkylthioethers Carbonyl compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Meta-thiazine - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Vinylogous thioester - Azole - Heteroaromatic compound - Vinylogous amide - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Sulfenyl compound - Dialkylthioether - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organosulfur compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Primary amine - 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