Compound Identification
SMILES
COC1=CC=CC(OC)=C1C(=O)NC1C2SC(C)(C)C(N2C1=O)C(=O)OP(O)(O)=O
InChIKey
InChIKey=BBXZHUKASZKCJH-UHFFFAOYSA-N
Formula
C17H21N2O9PS
Mass
460.39
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 Dimethoxybenzenes Benzamides Benzoyl derivatives Anisoles Phenoxy compounds Alkyl aryl ethers Acyl monophosphates Tertiary carboxylic acid amides Thiazolidines Azetidines Carboxylic acid salts Secondary carboxylic acid amides Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Dimethoxybenzene - M-dimethoxybenzene - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Acyl phosphate - Alkyl aryl ether - Acyl monophosphate - Monocyclic benzene moiety - Benzenoid - Organic phosphoric acid derivative - Thiazolidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid salt - Thioether - Monocarboxylic acid or derivatives - Ether - Azacycle - Carboxylic acid derivative - Hemithioaminal - Dialkylthioether - Organic nitrogen compound - Carbonyl group - Organic salt - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen 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