Compound Identification
SMILES
CC1(C)C(N2C(C(NC(=O)C(C([O-])=O)C3=CC=CC=C3)C2=O)S1=O)C([O-])=O
InChIKey
InChIKey=BJXLRMAEMLVSFF-UHFFFAOYSA-L
Formula
C17H16N2O7S
Mass
392.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
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 Phenylacetamides 1,3-dicarbonyl compounds Dicarboxylic acids and derivatives Thiazolidines Tertiary carboxylic acid amides Sulfoxides Secondary carboxylic acid amides Azetidines Carboxylic acid salts Sulfinyl compounds Azacyclic compounds Carboxylic acids Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - 1,3-dicarbonyl compound - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Sulfoxide - Carboxylic acid - Carboxylic acid derivative - Azacycle - Sulfinyl compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic anion - 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