Compound Identification
SMILES
CC1=NC=C(N1CCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)COC1=CC=CC=C1)C2=O)[N+]([O-])=O
InChIKey
InChIKey=RIKWZDGIQNDJOR-WSTZPKSXSA-N
Formula
C22H25N5O7S
Mass
503.53
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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives 1,2,5-trisubstituted imidazoles Phenoxy compounds Phenol ethers Nitroaromatic compounds Nitroimidazoles Alkyl aryl ethers N-substituted imidazoles Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Carboxylic acid esters Monocarboxylic acids and derivatives Dialkylthioethers Propargyl-type 1,3-dipolar organic compounds Thiohemiaminal derivatives Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 1,2,5-trisubstituted-imidazole - Phenoxy compound - Nitroaromatic compound - Trisubstituted imidazole - Phenol ether - Nitroimidazole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Thiazolidine - Azole - Tertiary carboxylic acid amide - Imidazole - Heteroaromatic compound - Azetidine - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hydrocarbon derivative - Organooxygen compound - Organic salt - Organic zwitterion - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Organonitrogen 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