Compound Identification
SMILES
[Na].[Na].COC1(NC(=O)C(C(O)=O)C2=CSC=C2)[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O
InChIKey
InChIKey=OSEDEUJPFFVLKH-DYWOXMMCSA-N
Formula
C16H18N2Na2O7S2
Mass
460.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Penams
- Level 6 Penicillins
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Level 5
Penams
-
Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Penams
Direct Parent
Penicillins
Alternative Parents
N-acyl-alpha amino acids and derivatives 1,3-dicarbonyl compounds Dicarboxylic acids and derivatives Thiophenes Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Secondary carboxylic acid amides Azacyclic compounds Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Organic alkali metal salts Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic alkali metal salt - Dialkylthioether - Hemithioaminal - Thioether - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as penicillins. These are organic compounds containing the penicillin core structure, which is structurally characterized by a penam ring bearing two methyl groups at position 2, and an amide group at position 6 [starting from the sulfur atom at position 1].
External Descriptors
Not available