Compound Identification
SMILES
[O-]C(=O)C(F)(F)F.CC1=CC(C)=C(C=C1)[N+]1=C(N)C=C(N)N=C1SCC1=C(N2C(SC1)C(NC(=O)C(=N/OC(C)(C)C(O)=O)\C1=CSC(N)=N1)C2=O)C(O)=O
InChIKey
InChIKey=CTHRYGLZGHFUGB-NVAQXQNESA-N
Formula
C31H32F3N9O9S3
Mass
827.83
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 m-Xylenes 2,4-disubstituted thiazoles Alkylarylthioethers Aminopyrimidines and derivatives 1,3-thiazines 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Imidolactams Tertiary carboxylic acid amides Alpha-halocarboxylic acids Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acid salts Azacyclic compounds Sulfenyl compounds Carboxylic acids Dialkylthioethers Thiohemiaminal derivatives Organic oxides Carbonyl compounds Organic zwitterions Organofluorides Alkyl fluorides Primary amines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Xylene - M-xylene - Alkylarylthioether - Aminopyrimidine - 2,4-disubstituted 1,3-thiazole - Pyrimidine - 1,3-thiazol-2-amine - Imidolactam - Dicarboxylic acid or derivatives - Benzenoid - Meta-thiazine - Monocyclic benzene moiety - Alpha-halocarboxylic acid - Heteroaromatic compound - Alpha-halocarboxylic acid or derivatives - Azole - Tertiary carboxylic acid amide - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid salt - Azetidine - Amino acid or derivatives - Amino acid - Azacycle - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Primary amine - Carbonyl group - Organic oxide - Alkyl halide - Alkyl fluoride - Organic zwitterion - Organic oxygen compound - Amine - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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