Compound Identification
SMILES
[K].CC1(C)SC2C(NC(=O)COC3=CC=C(C=C3)[N+]([O-])=O)C(=O)N2C1C(O)=O
InChIKey
InChIKey=YZOABXPTHGNFCY-UHFFFAOYSA-N
Formula
C16H17KN3O7S
Mass
434.48
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
N-acyl-alpha amino acids and derivatives Nitrophenyl ethers Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Thiazolidines Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Dialkylthioethers Organic alkali metal salts Organic oxoazanium compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Nitrophenyl ether - Alpha-amino acid or derivatives - Nitrobenzene - Phenol ether - Phenoxy compound - Nitroaromatic compound - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Thiazolidine - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic alkali metal salt - Dialkylthioether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Hemithioaminal - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic salt - Organic cation - 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