Compound Identification
SMILES
CC1(C)SC2C(N3C(=O)C(NC3(C)C)C3=CC=CC=C3)C(=O)N2C1C([O-])=O
InChIKey
InChIKey=DXVUYOAEDJXBPY-UHFFFAOYSA-M
Formula
C19H22N3O4S
Mass
388.46
Taxonomic Classification
Taxonomy Tree
-
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
Phenylimidazolidines Alpha amino acids and derivatives Imidazolidinones Benzene and substituted derivatives Thiazolidines Tertiary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Dialkylamines Carboxylic acids Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - Phenylimidazolidine - Alpha-amino acid or derivatives - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - Imidazolidine - Tertiary carboxylic acid amide - Thiazolidine - Amino acid - Azetidine - Amino acid or derivatives - Carboxamide group - Azacycle - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Hemithioaminal - Monocarboxylic acid or derivatives - Secondary amine - Thioether - Organic oxide - Organic nitrogen compound - Amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - 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