Compound Identification
SMILES
CCC1CC(F)=CC(=C1)C(NC1CCCO1)C(=O)N([C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)C(=O)C(NC1CCCO1)C1=CC(CC)CC(F)=C1
InChIKey
InChIKey=DLGSEAKXZXIGKB-LQCQAAMZSA-N
Formula
C36H48F2N4O7S
Mass
718.86
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 amides N-substituted carboxylic acid imides Thiazolidines Tertiary carboxylic acid amides Oxolanes Dicarboximides Amino acids Tertiary amines Azetidines Hemiaminals Vinyl fluorides Thiohemiaminal derivatives Azacyclic compounds Secondary amines Monocarboxylic acids and derivatives Fluoroalkenes Oxacyclic compounds Dialkylthioethers Carboxylic acids Organofluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid amide - Alpha-amino acid or derivatives - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Oxolane - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Carboxamide group - Hemiaminal - Amino acid - Tertiary amine - Amino acid or derivatives - Dialkylthioether - Haloalkene - Secondary amine - Fluoroalkene - Vinyl halide - Vinyl fluoride - Hemithioaminal - Thioether - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Amine - Organic nitrogen compound - Organic oxide - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aliphatic 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