Compound Identification
SMILES
CC1=C(C(=O)N[C@H]2[C@@H]3SC(C)(C)[C@H](N3C2=O)C([O-])=O)C(=NO1)C1=C(F)C=CC=C1Cl
InChIKey
InChIKey=UIOFUWFRIANQPC-CPUCHLNUSA-M
Formula
C19H16ClFN3O5S
Mass
452.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Lactams
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Subclass
Beta lactams
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Level 5
Penams
- Level 6 Penicillins
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Level 5
Penams
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Subclass
Beta lactams
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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 Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Isoxazoles Amino acids Tertiary amines Azetidines Carboxylic acid salts Secondary carboxylic acid amides Oxacyclic compounds Dialkylthioethers Thiohemiaminal derivatives Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organofluorides Carbonyl compounds Hydrocarbon derivatives Organochlorides Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Isoxazole - Azole - Thiazolidine - Tertiary carboxylic acid amide - Carboxylic acid salt - Amino acid or derivatives - Amino acid - Carboxamide group - Azetidine - Tertiary amine - Secondary carboxylic acid amide - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Hemithioaminal - Thioether - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic anion - 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