Compound Identification
SMILES
Br.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)N2[C@H]1C(=O)OC1OC(=O)C2=CC=CC=C12
InChIKey
InChIKey=VEAZBFMNCQEHFO-WVFSJLEKSA-N
Formula
C24H24BrN3O6S
Mass
562.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
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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 N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phthalides Phenylacetamides Benzofuranones Aralkylamines Dicarboxylic acids and derivatives Thiazolidines Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Lactones Carboxylic acid esters Acetals Thiohemiaminal derivatives Oxacyclic compounds Azacyclic compounds Dialkylthioethers Organic oxides Monoalkylamines Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Hydrobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzofuranone - Isobenzofuranone - Phthalide - Phenylacetamide - Isocoumaran - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Tertiary carboxylic acid amide - Thiazolidine - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Acetal - Azacycle - Oxacycle - Dialkylthioether - Carboxylic acid derivative - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrobromide - Organic nitrogen compound - Amine - Primary aliphatic amine - Primary amine - Hydrocarbon derivative - 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