Compound Identification
SMILES
CC1(C)C[N+]2([C@H](C(NC(=O)COC3=CC=CC=C3)C2=O)S1=O)C(=O)OCC(Cl)(Cl)Cl
InChIKey
InChIKey=VYWKBVOUNQYGNU-KOJOIQOMSA-O
Formula
C18H20Cl3N2O6S
Mass
498.78
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 Phenoxy compounds Phenol ethers Alkyl aryl ethers Azetidinecarboxylic acids Thiazolidines Quaternary ammonium salts Sulfoxides Secondary carboxylic acid amides Sulfinyl compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Alkyl chlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Azetidinecarboxylic acid - Benzenoid - Monocyclic benzene moiety - Quaternary ammonium salt - Thiazolidine - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Sulfoxide - Sulfinyl compound - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Alkyl chloride - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - 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