Compound Identification
SMILES
OC(=O)CCCC(=O)OCC1=C(N2[C@@H](SC1)[C@H](NC(=O)CC1=CC=CS1)C2=O)C(O)=O
InChIKey
InChIKey=DONZIWWJOPXJIC-QAPCUYQASA-N
Formula
C19H20N2O8S2
Mass
468.5
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 Tricarboxylic acids and derivatives Fatty acid esters 1,3-thiazines Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids Azetidines Carboxylic acid esters Tertiary amines Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Dialkylthioethers Thiohemiaminal derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Fatty acid ester - Meta-thiazine - Fatty acyl - Thiophene - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Tertiary amine - Carboxylic acid ester - Amino acid - Amino acid or derivatives - Secondary carboxylic acid amide - Azetidine - Azacycle - Carboxylic acid derivative - Dialkylthioether - Carboxylic acid - Hemithioaminal - Thioether - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic 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