Compound Identification
SMILES
[K+].CC1(C)SC2[C@H](NC(=O)CSCC=C)C(=O)N2[C@H]1C(O)=O
InChIKey
InChIKey=ONYTXCTVWDZLFD-CIISUUNXSA-N
Formula
C13H18KN2O4S2
Mass
369.51
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 Thiazolidines Tertiary carboxylic acid amides Allyl sulfur compounds Azetidines Secondary carboxylic acid amides Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic oxides Organic potassium salts Organic cations
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Carboxamide group - Allyl sulfur compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Organic alkali metal salt - Dialkylthioether - Thioether - Hemithioaminal - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organic potassium salt - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic cation - Aliphatic 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