Compound Identification
SMILES
CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[NH+]3CCCCC3)=C(N2C1=O)C([O-])=O)C1=CSC(N)=N1)C(O)=O
InChIKey
InChIKey=UYRXPPFKJQEEFK-DWVKKRMSSA-N
Formula
C22H28N6O7S2
Mass
552.62
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 2,4-disubstituted thiazoles Dicarboxylic acids and derivatives 2-amino-1,3-thiazoles Piperidines 1,3-thiazines Heteroaromatic compounds Quaternary ammonium salts Tertiary carboxylic acid amides Carboxylic acid salts Amino acids Trialkylamines Azetidines Secondary carboxylic acid amides Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds 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 - 2,4-disubstituted 1,3-thiazole - Meta-thiazine - Dicarboxylic acid or derivatives - Piperidine - 1,3-thiazol-2-amine - Heteroaromatic compound - Quaternary ammonium salt - Azole - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Azetidine - Amino acid - Carboxylic acid salt - Carboxamide group - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Azacycle - Hemithioaminal - Thioether - 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