Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)CC1=CC=CC=C1)C2=O)C1=CC=CC=C1
InChIKey
InChIKey=OAOSKGXIKAZMFX-FULLSBAXSA-N
Formula
C30H31N3O6S2
Mass
593.71
Taxonomic Classification
Taxonomy Tree
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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
Alpha amino acid esters N,N-disubstituted p-toluenesulfonamides N-acyl-alpha amino acids and derivatives Benzenesulfonamides Phenylacetamides Sulfanilides Benzenesulfonyl compounds Organosulfonamides Tertiary carboxylic acid amides Thiazolidines Aminosulfonyl compounds Carboxylic acid esters Azetidines Secondary carboxylic acid amides Monocarboxylic acids and derivatives Dialkylthioethers Thiohemiaminal derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid ester - N,n-disubstituted p-toluenesulfonamide - N-acyl-alpha amino acid or derivatives - P-toluenesulfonamide - Alpha-amino acid or derivatives - Benzenesulfonamide - Sulfanilide - Phenylacetamide - Tosyl compound - Benzenesulfonyl group - Toluene - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Sulfonyl - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Thioether - Dialkylthioether - Azacycle - Hemithioaminal - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organooxygen compound - Organosulfur 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