Compound Identification
SMILES
COC(=O)C1=C([C@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)C2=CC=CC=C2)C(=O)C=CC1=O
InChIKey
InChIKey=GDTQZQODCSRZIP-WMIGDMCZSA-N
Formula
C24H22N2O8S
Mass
498.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
N-acyl-alpha amino acids and derivatives Aromatic monoterpenoids Bicyclic monoterpenoids Phenylacetamides P-benzoquinones Dicarboxylic acids and derivatives Thiazolidines Tertiary carboxylic acid amides Enoate esters Methyl esters Azetidines Secondary carboxylic acid amides Azacyclic compounds Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aromatic monoterpenoid - Bicyclic monoterpenoid - Monoterpenoid - Phenylacetamide - Quinone - P-benzoquinone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Alpha,beta-unsaturated carboxylic ester - Methyl ester - Enoate ester - Azetidine - Carboxamide group - Carboxylic acid ester - Ketone - Cyclic ketone - Secondary carboxylic acid amide - Dialkylthioether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Hemithioaminal - Thioether - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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