Compound Identification
SMILES
CC=CC(=O)OCC1=C(N2[C@@H](SC1)[C@H](NC(=O)C(N=O)C1=CC=CC=C1)C2=O)C(O)=O
InChIKey
InChIKey=GQYNTMXBKAGIRI-ZDAZJVQBSA-N
Formula
C20H19N3O7S
Mass
445.45
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
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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 Alpha amino acid amides Phenylacetamides Fatty acid esters 1,3-thiazines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Enoate esters Secondary carboxylic acid amides Tertiary amines Azetidines Amino acids Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids C-nitroso compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - Fatty acid ester - Meta-thiazine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Tertiary carboxylic acid amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hemithioaminal - Thioether - Dialkylthioether - C-nitroso compound - Carboxylic acid derivative - Carboxylic acid - Organic nitroso compound - Azacycle - Organic oxygen compound - Amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen 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