Compound Identification
SMILES
CC1=C(N(N=C1)C1=C(Cl)C=CC=C1Cl)C(=O)NC1C2SC(C)(C)C(N2C1=O)C(O)=O
InChIKey
InChIKey=XRCKXULNIUSXFZ-UHFFFAOYSA-N
Formula
C19H18Cl2N4O4S
Mass
469.34
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Lactams
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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 Phenylpyrazoles 2-heteroaryl carboxamides Pyrazole-5-carboxamides Dichlorobenzenes Aryl chlorides Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Organonitrogen compounds Organochlorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Phenylpyrazole - Alpha-amino acid or derivatives - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Azole - Pyrazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Azacycle - Dialkylthioether - Hemithioaminal - Carboxylic acid derivative - Carboxylic acid - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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