Compound Identification
SMILES
CC1(C)[C@@H](N2[C@@H]([C@H](NC(=O)C(C3=CC=CC=C3)C3=CC=CC=C3)C2=O)S1=O)C(O)=O
InChIKey
InChIKey=KFMXQHTUJPHSSN-GZMFURJSSA-N
Formula
C22H22N2O5S
Mass
426.49
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
Diphenylmethanes N-acyl-alpha amino acids and derivatives Phenylacetamides Thiazolidines Tertiary carboxylic acid amides Sulfoxides Azetidines Secondary carboxylic acid amides Azacyclic compounds Sulfinyl compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - Diphenylmethane - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Sulfoxide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Sulfinyl compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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