Compound Identification
SMILES
CC(O)CO.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=C(O)C=C3)C(=O)N2[C@H]1C(O)=O
InChIKey
InChIKey=ISCAYVVTSJHNEH-YWUHCJSESA-N
Formula
C19H27N3O7S
Mass
441.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Penams
- Level 6 Penicillins
-
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 Alpha amino acid amides Phenylacetamides Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Thiazolidines Tertiary carboxylic acid amides Azetidines Amino acids Secondary carboxylic acid amides Secondary alcohols 1,2-diols Azacyclic compounds Thiohemiaminal derivatives Monocarboxylic acids and derivatives Carboxylic acids Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Primary alcohols
Molecular Framework
Not available
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - 1,2-diol - Amino acid or derivatives - Azetidine - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Amino acid - Thioether - Hemithioaminal - Azacycle - Dialkylthioether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Alcohol - Primary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Primary alcohol - Primary amine - Amine - Organooxygen compound - Organic oxide - 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