Compound Identification
SMILES
CC(C)(C)C(=O)OCN1N=NC(=N1)C1N2[C@H](SC1(C)C)C(NC(=O)C(N)C1=CC=CS1)C2=O
InChIKey
InChIKey=YNNLOWRUEGAJLG-QYWFDRRHSA-N
Formula
C20H27N7O4S2
Mass
493.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Penams
- Level 6 Penicillins
-
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 Alpha amino acid amides Aralkylamines Thiophenes Thiazolidines Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azetidines Thiohemiaminal derivatives Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Aralkylamine - Azole - Tertiary carboxylic acid amide - Tetrazole - Thiazolidine - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Azetidine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Organic oxygen 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