Compound Identification
SMILES
CO[C@]1(NC(=O)CCCC(N)C(O)=O)C2SCC(COC(C)=O)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=ORQHMODRGXTBFU-HDWNGQBPSA-N
Formula
C17H23N3O9S
Mass
445.44
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
Cephamycins N-acyl-alpha amino acids and derivatives Alpha amino acids Tricarboxylic acids and derivatives 1,3-thiazines N-acyl amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Carboxylic acid esters Azetidines Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - Cephamycin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Meta-thiazine - N-acyl-amine - Fatty amide - Fatty acyl - Tertiary carboxylic acid amide - Amino acid - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Azetidine - Azacycle - Carboxylic acid derivative - Dialkylthioether - Carboxylic acid - Hemithioaminal - Thioether - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Organic oxide - Primary aliphatic amine - Primary amine - 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