Compound Identification
SMILES
[Na+].CCN(CC)C(=O)SCC(=O)NC1C2SCC(COC(C)=O)=C(N2C1=O)C([O-])=O
InChIKey
InChIKey=OKHPKCHWBWWTHH-UHFFFAOYSA-M
Formula
C17H22N3NaO7S2
Mass
467.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
-
Level 6
Cephalosporins
- Level 7 Cephalosporin 3'-esters
-
Level 6
Cephalosporins
-
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 - Cephalosporins
Direct Parent
Cephalosporin 3'-esters
Alternative Parents
N-acyl-alpha amino acids and derivatives 1,3-thiazines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Azetidines Carboxylic acid esters Carboxylic acid salts Thiocarbamic acid derivatives Organic carbonic acids and derivatives Secondary carboxylic acid amides Sulfenyl compounds Dialkylthioethers Carboxylic acids Azacyclic compounds Thiohemiaminal derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic sodium salts Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Meta-thiazine - Dicarboxylic acid or derivatives - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Carboxylic acid salt - Carbonic acid derivative - Secondary carboxylic acid amide - Thiocarbamic acid derivative - Thioether - Carboxylic acid derivative - Azacycle - Organic alkali metal salt - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Organic sodium salt - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalosporin 3'-esters. These are cephalosporins that are esterified at the 3'-position.
External Descriptors
Not available