Compound Identification
SMILES
CCN1C=C[N+]2=C1C=CC(S\C=C\C1=C(N3[C@H](SC1)[C@H](NC(=O)C(=N/OC1CCCC1)\C1=NSC(N)=N1)C3=O)C([O-])=O)=N2
InChIKey
InChIKey=CJUXUXINNNYEOF-HUPSBLNTSA-N
Formula
C26H27N9O5S3
Mass
641.74
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 Aryl thioethers 1,3-thiazines N-substituted imidazoles Pyridazines and derivatives Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Thioenol ethers Azetidines Carboxylic acid salts Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids 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 - Aryl thioether - Meta-thiazine - Pyridazine - N-substituted imidazole - Tertiary carboxylic acid amide - Thiadiazole - Heteroaromatic compound - Azole - Imidazole - Carboxylic acid salt - Carboxamide group - Thioenolether - Azetidine - Amino acid - Secondary carboxylic acid amide - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Dialkylthioether - Carboxylic acid - Sulfenyl compound - Monocarboxylic acid or derivatives - Hemithioaminal - Thioether - Organic zwitterion - Organic oxide - Amine - Organic oxygen compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - 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