Compound Identification
SMILES
CC1(C)[C@@H](N2[C@@H]([C@H](NC(=O)C(F)(F)F)C2=O)S1(=O)=O)C(=O)N1CCC[C@@H]1C(O)=O
InChIKey
InChIKey=VCYCWPPQOSGYRO-HGIWHZBTSA-N
Formula
C15H18F3N3O7S
Mass
441.38
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 Proline and derivatives N-acylpyrrolidines Pyrrolidine carboxylic acids Tertiary carboxylic acid amides Thiazolidines Sulfones Secondary carboxylic acid amides Amino acids Azetidines Tertiary amines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Proline or derivatives - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Thiazolidine - Tertiary carboxylic acid amide - Sulfone - Pyrrolidine - Amino acid or derivatives - Azetidine - Carboxamide group - Amino acid - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organohalogen compound - Alkyl halide - Carbonyl group - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organofluoride - 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