Compound Identification
SMILES
CON=C(C(=O)N[C@H]1[C@@H]2SCC(C[N+]3=CC=C(C=C3)C3=NC=CN3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1
InChIKey
InChIKey=NTERZQFAEOLASZ-QRWLVFNGSA-O
Formula
C22H21N8O5S2
Mass
541.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
-
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 2,4-disubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Pyridinium derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Imidazoles Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Primary amines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - 1,3-thiazol-2-amine - Pyridine - Pyridinium - Imidazole - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Thiazole - Amino acid - Amino acid or derivatives - Carboxamide group - Azetidine - Secondary carboxylic acid amide - Tertiary amine - Carboxylic acid - Dialkylthioether - Monocarboxylic acid or derivatives - Hemithioaminal - Azacycle - Carboxylic acid derivative - Thioether - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organic cation - 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