Compound Identification
SMILES
COC(=O)C=C(C)NC1=CC=CC=C1CC(=O)NC1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O
InChIKey
InChIKey=ZBQPLPQJXYDMEQ-WFTITGEASA-N
Formula
C21H25N3O6S
Mass
447.51
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 Phenylacetamides Aniline and substituted anilines Secondary alkylarylamines Fatty acid esters Dicarboxylic acids and derivatives Vinylogous amides Thiazolidines Tertiary carboxylic acid amides Methyl esters Enoate esters Amino acids Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Enamines Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Dicarboxylic acid or derivatives - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Vinylogous amide - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxamide group - Amino acid - Carboxylic acid ester - Secondary carboxylic acid amide - Amino acid or derivatives - Azetidine - Azacycle - Carboxylic acid derivative - Dialkylthioether - Carboxylic acid - Hemithioaminal - Enamine - Thioether - Secondary amine - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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