Compound Identification
SMILES
O.CC1=C(C(=O)N[C@@H]2[C@@H]3SC(C)(C)[C@H](N3C2=O)C(O)=O)C(=NO1)C1=C(Cl)C=CC=C1Cl
InChIKey
InChIKey=CPRLAZLTWYTMST-ZTCLJSFKSA-N
Formula
C19H19Cl2N3O6S
Mass
488.34
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
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Subclass
Beta lactams
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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 Dichlorobenzenes Aryl chlorides Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Isoxazoles Amino acids Tertiary amines Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Dialkylthioethers Carbonyl compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Isoxazole - Thiazolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Thioether - Monocarboxylic acid or derivatives - Hemithioaminal - Dialkylthioether - Azacycle - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen 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