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)OCCl
InChIKey
InChIKey=LJHQWFXRJZKVJR-AQCCAAQSSA-N
Formula
C22H26ClN3O6S
Mass
495.98
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
N-acyl-alpha amino acids and derivatives Alpha amino acid esters Phenylacetamides Aniline and substituted anilines Fatty acid esters Secondary alkylarylamines Dicarboxylic acids and derivatives Vinylogous amides Enoate esters Methyl esters Thiazolidines Tertiary carboxylic acid amides Azetidines Secondary carboxylic acid amides Thiohemiaminal derivatives Azacyclic compounds Enamines Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Aniline or substituted anilines - Fatty acid ester - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Tertiary carboxylic acid amide - Thiazolidine - Enoate ester - Methyl ester - Secondary carboxylic acid amide - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary amine - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid derivative - Azacycle - Enamine - Alkyl halide - Hydrocarbon derivative - Alkyl chloride - Organohalogen compound - Carbonyl group - Organic oxide - Organochloride - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - 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