Compound Identification
SMILES
COC1=CC=CC(OC)=C1C(=O)NC1C2SC(C)(C)[C@@H](N2C1=O)C(=O)OCOC(=O)C1=CN(C)C=CC1
InChIKey
InChIKey=ILWVLMROERMQCR-LVIWNVNYSA-N
Formula
C25H29N3O8S
Mass
531.58
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-acyl-alpha amino acids and derivatives Dimethoxybenzenes Benzamides Dihydropyridinecarboxylic acids and derivatives Anisoles Benzoyl derivatives Phenoxy compounds Alkyl aryl ethers Acylals Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Enoate esters Vinylogous amides Thiazolidines Secondary carboxylic acid amides Azetidines Trialkylamines Allylamines Enamines Acetals Azacyclic compounds Dialkylthioethers Thiohemiaminal derivatives Organic oxides Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Alpha-amino acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Dihydropyridinecarboxylic acid derivative - Benzamide - Benzoic acid or derivatives - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Acylal - Dihydropyridine - Dicarboxylic acid or derivatives - Benzenoid - Hydropyridine - Monocyclic benzene moiety - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazolidine - Tertiary carboxylic acid amide - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Carboxamide group - Azetidine - Hemithioaminal - Ether - Enamine - Thioether - Dialkylthioether - Carboxylic acid derivative - Acetal - Azacycle - Allylamine - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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