Compound Identification
SMILES
CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CCCC(O)=O)C2=O)C(O)=O
InChIKey
InChIKey=IXUSDMGLUJZNFO-UHFFFAOYSA-N
Formula
C15H18N2O8S
Mass
386.38
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 1,3-thiazines N-acyl amines Tertiary carboxylic acid amides Azetidines Carboxylic acid esters Secondary carboxylic acid amides Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Meta-thiazine - Fatty amide - N-acyl-amine - Fatty acyl - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Azacycle - Thioether - Hemithioaminal - Dialkylthioether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - 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