Compound Identification
SMILES
CN(C)CCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)CSCC=C)C2=O
InChIKey
InChIKey=UATYPGDWXVBENZ-VNHYZAJKSA-N
Formula
C17H27N3O4S2
Mass
401.54
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 Thiazolidines Tertiary carboxylic acid amides Trialkylamines Allyl sulfur compounds Secondary carboxylic acid amides Azetidines Carboxylic acid esters Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Dialkylthioethers Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Tertiary carboxylic acid amide - Thiazolidine - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Allyl sulfur compound - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Aliphatic 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