Compound Identification
SMILES
CCOC(=O)C1=NC2=C(S1)C=C[N+](CC1=C(N3[C@@H](SC1)[C@H](NC(=O)C(=N\OC)\C1=CSC(N)=N1)C3=O)C([O-])=O)=C2
InChIKey
InChIKey=GQVJBKQDRHAKLF-ODZZXWGISA-N
Formula
C23H21N7O7S3
Mass
603.64
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 Thiazolecarboxylic acids and derivatives 2,4-disubstituted thiazoles Pyridinium derivatives 1,3-thiazines 2-amino-1,3-thiazoles Heteroaromatic compounds Tertiary carboxylic acid amides Azetidines Carboxylic acid esters Carboxylic acid salts Secondary carboxylic acid amides Amino acids Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers 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 - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - Pyridine - Pyridinium - 1,3-thiazol-2-amine - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Azole - Amino acid - Azetidine - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Carboxylic acid ester - Amino acid or derivatives - Carboxylic acid - Azacycle - Carboxylic acid derivative - Thioether - Hemithioaminal - Monocarboxylic acid or derivatives - Dialkylthioether - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Organic zwitterion - Organic salt - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen 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