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