Compound Identification
SMILES
OC[C@@H]1CCCN1C(OC=O)C1=C(N2[C@H](C(NC=O)C2=O)S(=O)C1)C(O)=O
InChIKey
InChIKey=HSJBYYOEISUPJL-QUJZTYLQSA-N
Formula
C15H19N3O8S
Mass
401.39
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-formyl-alpha amino acids 1,3-thiazines Dicarboxylic acids and derivatives N-alkylpyrrolidines Tertiary carboxylic acid amides Tertiary amines Amino acids Azetidines Carboxylic acid esters Sulfoxides Secondary carboxylic acid amides Carboxylic acids Sulfinyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - N-formyl-alpha-amino acid - N-formyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Meta-thiazine - Dicarboxylic acid or derivatives - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Amino acid - Secondary carboxylic acid amide - Sulfoxide - Tertiary amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Sulfinyl compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic nitrogen compound - Alcohol - 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