Compound Identification
SMILES
CC[C@H](OC1=CC=CC=C1)C(=O)N[C@@H]1[C@@H]2SC(C)(C)[C@H](N2C1=O)C([O-])=O
InChIKey
InChIKey=HOCWPKXKMNXINF-JFILPPLUSA-M
Formula
C18H21N2O5S
Mass
377.44
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 Phenol ethers Phenoxy compounds Alkyl aryl ethers N-acyl amines Tertiary carboxylic acid amides Thiazolidines Tertiary amines Carboxylic acid salts Azetidines Amino acids Secondary carboxylic acid amides Thiohemiaminal derivatives Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Benzenoid - Fatty acyl - Thiazolidine - Tertiary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Azetidine - Amino acid - Amino acid or derivatives - Dialkylthioether - Azacycle - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Carboxylic acid - Hemithioaminal - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Organonitrogen compound - 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