Compound Identification
SMILES
CCOC(=O)NC(CCCC(=O)NC1[C@@H]2SCC(COC(=O)CC(C)=O)=C(N2C1=O)C(O)=O)C(O)=O
InChIKey
InChIKey=QMNNWTFMCXENFC-WOOZHMMNSA-N
Formula
C21H27N3O11S
Mass
529.52
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 Beta-keto acids and derivatives Fatty acid esters 1,3-dicarbonyl compounds N-acyl amines 1,3-thiazines Tertiary carboxylic acid amides Carbamate esters Secondary carboxylic acid amides Tertiary amines Amino acids Azetidines Carboxylic acid esters Ketones Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Organic oxides Hydrocarbon derivatives
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 - Beta-keto acid - Fatty acid ester - Meta-thiazine - N-acyl-amine - Keto acid - Fatty acyl - Fatty amide - 1,3-dicarbonyl compound - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxylic acid ester - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Amino acid - Amino acid or derivatives - Ketone - Azacycle - Dialkylthioether - Carboxylic acid derivative - Hemithioaminal - Carboxylic acid - Thioether - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen 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