Compound Identification
SMILES
CC(=O)NC(=O)OCC1(C)SC2C(NC(=O)COC3=CC=CC=C3)C(=O)N2C1C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=HPAOPTDNRPMCDE-UHFFFAOYSA-N
Formula
C26H26N4O10S
Mass
586.57
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 N-acyl-alpha amino acids and derivatives Benzyloxycarbonyls Nitrobenzenes Nitroaromatic compounds Phenol ethers Phenoxy compounds Alkyl aryl ethers Thiazolidines Carbamate esters Dicarboximides Tertiary carboxylic acid amides Acetamides Azetidines Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Thiohemiaminal derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Nitrobenzene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Thiazolidine - Carbamic acid ester - Tertiary carboxylic acid amide - Acetamide - Dicarboximide - Azetidine - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Hemithioaminal - Thioether - Organic oxoazanium - Dialkylthioether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Ether - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organonitrogen 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