Compound Identification
SMILES
CCOC(=O)OC(C)OC(=O)C1N2C(SC1(C)C)C(NC(=O)C([NH3+])C1=CC=CC=C1)C2=O
InChIKey
InChIKey=PFOLLRNADZZWEX-UHFFFAOYSA-O
Formula
C21H28N3O7S
Mass
466.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
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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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides Aralkylamines Carbonic acid diesters Thiazolidines Tertiary carboxylic acid amides Secondary carboxylic acid amides Carboxylic acid esters Azetidines Thiohemiaminal derivatives Acetals Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - Aralkylamine - Carbonic acid diester - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxylic acid ester - Carboxamide group - Carbonic acid derivative - Azetidine - Azacycle - Hemithioaminal - Thioether - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Dialkylthioether - Organic nitrogen compound - Organic oxygen compound - Primary aliphatic amine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen 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