Compound Identification
SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H]3C[C@@H](COC(=O)C4=CC=CC=C4)[C@H](OC(=O)C4=CC=CC=C4)[C@@H]3OC(=O)C3=CC=CC=C3)C(=O)N2[C@H]1C(=O)OCC1=CC=CC=C1
InChIKey
InChIKey=VSAKQRKQMQDION-OKVJICQASA-N
Formula
C43H40N2O10S
Mass
776.86
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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Benzoic acid esters Benzyloxycarbonyls Benzoyl derivatives Thiazolidines Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Carboxylic acid esters Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzoate ester - Benzyloxycarbonyl - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Azetidine - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen 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