Compound Identification
SMILES
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)C1=CC=CC=C1)C2=O)C(O)=O
InChIKey
InChIKey=CNAGMNMBHMQZPF-SUYBPPKGSA-N
Formula
C18H18N2O7S
Mass
406.41
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 Phenylacetamides Dicarboxylic acids and derivatives 1,3-thiazines Tertiary carboxylic acid amides Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Azetidines Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Phenylacetamide - Alpha-amino acid or derivatives - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Meta-thiazine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid ester - Carboxamide group - Azetidine - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aromatic 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