Compound Identification
SMILES
COCCOCOC(=O)C1N2C(SC1(C)C)C(N1C(=O)C(NC1(C)C)C1=CC=CC=C1)C2=O
InChIKey
InChIKey=QUNPORLNUTXPNM-UHFFFAOYSA-N
Formula
C23H31N3O6S
Mass
477.58
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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 Phenylimidazolidines Imidazolidinones Benzene and substituted derivatives Thiazolidines Tertiary carboxylic acid amides Carboxylic acid esters Azetidines Thiohemiaminal derivatives Monocarboxylic acids and derivatives Dialkylthioethers Dialkylamines Dialkyl ethers Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid ester - Phenylimidazolidine - Alpha-amino acid or derivatives - Benzenoid - Imidazolidinone - Monocyclic benzene moiety - Thiazolidine - Tertiary carboxylic acid amide - Imidazolidine - Carboxylic acid ester - Carboxamide group - Azetidine - Amino acid or derivatives - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Secondary amine - Monocarboxylic acid or derivatives - Ether - Secondary aliphatic amine - Dialkyl ether - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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