Compound Identification
SMILES
COC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@@H](NC(=O)C(N=[N+]=[N-])C1=CC=CC=C1)C2=O
InChIKey
InChIKey=PCEJIWKJCQDIGM-ITNQCEGQSA-N
Formula
C17H19N5O4S
Mass
389.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Phenylacetamides Tertiary carboxylic acid amides Methyl esters Thiazolidines Secondary carboxylic acid amides Azetidines Azo compounds Azo imides Monocarboxylic acids and derivatives Thiohemiaminal derivatives Dialkylthioethers Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Methyl ester - Azetidine - Azo compound - Azo imide - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Dialkylthioether - Hemithioaminal - Thioether - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic zwitterion - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organic salt - 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