Compound Identification
SMILES
CC1(C)C[N+]2([C@H](C(NC(=O)CC3=CC=CC=C3)C2=O)S1=O)C(=O)OCC(Cl)(Cl)Cl
InChIKey
InChIKey=OYKBTFXQOOHMDH-KZVJDSDMSA-O
Formula
C18H20Cl3N2O5S
Mass
482.78
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Penams
- Level 6 Penicillins
-
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 Phenylacetamides Azetidinecarboxylic acids Thiazolidines Quaternary ammonium salts Sulfoxides Secondary carboxylic acid amides Sulfinyl compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Azetidinecarboxylic acid - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Quaternary ammonium salt - Azetidine - Carboxamide group - Sulfoxide - Secondary carboxylic acid amide - Azacycle - Sulfinyl compound - Carboxylic acid derivative - Alkyl chloride - Alkyl halide - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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