Compound Identification
SMILES
CC(C)(OC1=CC=CC=C1)C(=O)NC1[C@@H]2SC(C)(C)C[N+]2(C(=O)OCC2=CC=CC=C2)C1=O
InChIKey
InChIKey=QPHCMZSKOBQODL-BYVYTNPCSA-O
Formula
C25H29N2O5S
Mass
469.58
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 Benzyloxycarbonyls Phenoxy compounds Phenol ethers Azetidinecarboxylic acids Alkyl aryl ethers Thiazolidines Quaternary ammonium salts Secondary carboxylic acid amides Dialkylthioethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenoxy compound - Phenol ether - Alkyl aryl ether - Azetidinecarboxylic acid - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Quaternary ammonium salt - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Thioether - Dialkylthioether - Carboxylic acid derivative - Ether - Azacycle - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen 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