Compound Identification
SMILES
COC(=O)[C@H]1C(C)(C)S[C@@H]2[C@H](NC(=O)OC(C)(C)C)C(=O)[N+]12[O-]
InChIKey
InChIKey=KEKXQIVHRFRLDK-PYKUJJJESA-N
Formula
C14H22N2O6S
Mass
346.4
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
Alpha amino acid esters Thiazolidines Methyl esters Carbamate esters Azetidines Trisubstituted amine oxides and derivatives Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid ester - Alpha-amino acid or derivatives - Thiazolidine - Carbamic acid ester - Methyl ester - Azetidine - Carboxylic acid ester - N-oxide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Thioether - Dialkylthioether - Trisubstituted n-oxide - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic salt - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic zwitterion - 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