Compound Identification
SMILES
CCCCOC1=CC=CC(=C1)C(N)C(=O)NC1[C@@H]2SC(C)(C)C(N2C1=O)C1=NNN=N1
InChIKey
InChIKey=RCFOBYALLNOTFP-OKTJVVOYSA-N
Formula
C20H27N7O3S
Mass
445.54
Taxonomic Classification
Taxonomy Tree
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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
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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 Alpha amino acid amides Phenylacetamides Phenoxy compounds Phenol ethers Alkyl aryl ethers Aralkylamines Thiazolidines Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Dialkylthioethers Thiohemiaminal derivatives Azacyclic compounds Carbonyl compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Tetrazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Amino acid or derivatives - Azetidine - Carboxamide group - Hemithioaminal - Thioether - Dialkylthioether - Azacycle - Ether - Carboxylic acid derivative - Organic oxygen compound - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Primary amine - 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