Compound Identification
SMILES
C[C@@H](NC=O)C1=[N+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)C(=N/OCF)\C2=NSC(N)=N2)C3=O)C(O)=O)C=C2SC=CN12
InChIKey
InChIKey=KCRGWNKTMMXMIR-USTRZADQSA-O
Formula
C21H21FN9O6S3
Mass
610.63
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 1,3-thiazines N-substituted imidazoles Thiazoles Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Primary amines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Alkyl fluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Meta-thiazine - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Thiazole - Thiadiazole - Tertiary carboxylic acid amide - Amino acid or derivatives - Amino acid - Azetidine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Thioether - Hemithioaminal - Dialkylthioether - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Alkyl halide - 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