Compound Identification
SMILES
COCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](N1C(=O)C3=CC=CC=C3C1=O)C2=O
InChIKey
InChIKey=FFLHJAAKQSSVQE-BFQNTYOBSA-N
Formula
C18H18N2O6S
Mass
390.41
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
Alpha amino acid esters Phthalimides Isoindoles Benzenoids N-substituted carboxylic acid imides Thiazolidines Tertiary carboxylic acid amides Carboxylic acid esters Azetidines Thiohemiaminal derivatives Monocarboxylic acids and derivatives Dialkylthioethers Acetals Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid ester - Phthalimide - Alpha-amino acid or derivatives - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Thiazolidine - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organooxygen compound - Organic oxide - Organonitrogen compound - 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