Compound Identification
SMILES
CN([C@@H]1[C@@H]2N([C@@H](C(=O)OCC3=CC=C(C=C3)C(O)=O)C(C)(C)S2(=O)=O)C1=O)C(=O)C(F)(F)F
InChIKey
InChIKey=PIIWKLBXRAHYEA-SGMGOOAPSA-N
Formula
C19H19F3N2O8S
Mass
492.42
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 Benzyloxycarbonyls Benzoic acids Benzoyl derivatives Thiazolidines Tertiary carboxylic acid amides Sulfones Tertiary amines Amino acids Azetidines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organic oxides Organofluorides Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid ester - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Sulfone - Amino acid or derivatives - Azetidine - Amino acid - Tertiary amine - Carboxamide group - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Alkyl halide - Amine - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - 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