Compound Identification
SMILES
CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CSC(=O)N1CCOCC1)C2=O)C(O)=O
InChIKey
InChIKey=DPZJCBJYKRKBLA-UHFFFAOYSA-N
Formula
C17H21N3O8S2
Mass
459.49
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 Morpholine carboxylic acids and derivatives 1,3-thiazines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Thiocarbamic acid derivatives Azetidines Secondary carboxylic acid amides Carboxylic acid esters Organic carbonic acids and derivatives Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Carboxylic acids Dialkylthioethers Dialkyl ethers Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Morpholine-4-carboxylic acid or derivatives - Meta-thiazine - Dicarboxylic acid or derivatives - Morpholine - Oxazinane - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Carbonic acid derivative - Thiocarbamic acid derivative - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Oxacycle - Ether - Azacycle - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Organopnictogen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - 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