Compound Identification
SMILES
CCO\N=C(/C(=O)NC1[C@H]2SCC(CSC3=[N+](C)C=C(C(O)=O)C(N)=N3)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1
InChIKey
InChIKey=YSHBYNMBFORIFE-ICRPIOGQSA-N
Formula
C21H22N8O7S3
Mass
594.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
-
Subclass
Beta lactams
-
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 Pyrimidinecarboxylic acids Aminopyrimidines and derivatives 2,4-disubstituted thiazoles Alkylarylthioethers 1,3-thiazines 2-amino-1,3-thiazoles Imidolactams Tertiary carboxylic acid amides Vinylogous amides Heteroaromatic compounds Azetidines Secondary carboxylic acid amides Carboxylic acid salts Amino acids Dialkylthioethers Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Thiohemiaminal derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Aminopyrimidine - Alkylarylthioether - Meta-thiazine - 1,3-thiazol-2-amine - Pyrimidine - Imidolactam - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Vinylogous amide - Carboxylic acid salt - Carboxamide group - Secondary carboxylic acid amide - Azetidine - Amino acid or derivatives - Amino acid - Azacycle - Dialkylthioether - Carboxylic acid derivative - Sulfenyl compound - Carboxylic acid - Hemithioaminal - Monocarboxylic acid or derivatives - Thioether - Amine - Organic oxide - Organic zwitterion - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary 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