Compound Identification
SMILES
CC1(C)NC(C(=O)N1C1C2SC(C)(C)C(N2C1=O)C(=O)OC1OC(=O)C2=CC=CC=C12)C1=CCC=CC1
InChIKey
InChIKey=SHMBHRXANYYVCT-UHFFFAOYSA-N
Formula
C27H29N3O6S
Mass
523.6
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
Alpha amino acid esters Phthalides Benzofuranones Imidazolidinones Dicarboxylic acids and derivatives Benzenoids Thiazolidines Tertiary carboxylic acid amides Lactones Azetidines Carboxylic acid esters Thiohemiaminal derivatives Oxacyclic compounds Acetals Azacyclic compounds Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid ester - Alpha-amino acid or derivatives - Benzofuranone - Isobenzofuranone - Phthalide - Isocoumaran - Imidazolidinone - Benzenoid - Dicarboxylic acid or derivatives - Thiazolidine - Imidazolidine - Tertiary carboxylic acid amide - Carboxamide group - Azetidine - Lactone - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - 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