Compound Identification
SMILES
[Na+].[Na+].CC1(C)[C@@H](C2[C@@H](CC2=O)S1(=O)=O)C([O-])=O.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)N2[C@H]1C([O-])=O
InChIKey
InChIKey=NWOYIVRVSJDTLK-YSDBFZIDSA-L
Formula
C25H29N3Na2O9S2
Mass
625.62
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 Alpha amino acid amides Phenylacetamides Aralkylamines Thiepanes Thiolanes Thiazolidines Tertiary carboxylic acid amides Sulfones Amino acids Ketones Carboxylic acid salts Azetidines Secondary carboxylic acid amides Tertiary amines Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Organic zwitterions Organic sodium salts Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - Thiepane - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Sulfone - Tertiary carboxylic acid amide - Thiazolidine - Thiolane - Azetidine - Carboxamide group - Carboxylic acid salt - Ketone - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Organic alkali metal salt - Hemithioaminal - Thioether - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary aliphatic amine - Organic zwitterion - Organic sodium salt - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Amine - Hydrocarbon derivative - Primary amine - Organic salt - Carbonyl group - 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