Compound Identification
SMILES
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](OC=O)C1=CC=CC=C1)C2=O)C(O)=O
InChIKey
InChIKey=MSJXQSMNIAQALT-DDUZABMNSA-N
Formula
C19H18N2O8S
Mass
434.42
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 Benzyloxycarbonyls Phenylacetamides Tricarboxylic acids and derivatives 1,3-thiazines Tertiary carboxylic acid amides Secondary carboxylic acid amides Carboxylic acid esters Azetidines Azacyclic compounds Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Tricarboxylic acid or derivatives - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Azacycle - Thioether - Hemithioaminal - Dialkylthioether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Organopnictogen 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