Compound Identification
SMILES
CC1(C)C[N+]2([C@H](C(NC(=O)CC3=CC=CC=C3)C2=O)S1=O)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=LLVDZKURKCWQPR-YQEPBIRBSA-O
Formula
C23H24N3O7S
Mass
486.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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 Benzyloxycarbonyls Nitrobenzenes Nitroaromatic compounds Azetidinecarboxylic acids Thiazolidines Quaternary ammonium salts Sulfoxides Secondary carboxylic acid amides Sulfinyl compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Nitrobenzene - Nitroaromatic compound - Azetidinecarboxylic acid - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Quaternary ammonium salt - Organic nitro compound - C-nitro compound - Sulfoxide - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Azacycle - Carboxylic acid derivative - Sulfinyl compound - Organic oxoazanium - Organic salt - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Organonitrogen compound - 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