Compound Identification
SMILES
COC1=CC=CC(OC)=C1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@H](COOCOC(=O)CCCC(O)=O)N2C1=O
InChIKey
InChIKey=DAPXQPHHUZYUNP-VQPPSCEASA-N
Formula
C23H30N2O10S
Mass
526.56
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
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 Dimethoxybenzenes Benzamides Anisoles Benzoyl derivatives Phenoxy compounds Alkyl aryl ethers Fatty acid esters Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Thiazolidines Dialkyl peroxides Carboxylic acid esters Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Benzoic acid or derivatives - Benzamide - Phenol ether - Anisole - Benzoyl - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Thiazolidine - Tertiary carboxylic acid amide - Azetidine - Dialkyl peroxide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Hemithioaminal - Carboxylic acid - Carboxylic acid derivative - Dialkylthioether - Azacycle - Ether - Thioether - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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