Compound Identification
SMILES
C(CNCC1=CC=CC=C1)NCC1=CC=CC=C1.CC1(C)SC2C(NC(=O)COC3=CC=CC=C3)C(=O)N2C1C(O)=O.CC1(C)SC2C(NC(=O)COC3=CC=CC=C3)C(=O)N2C1C(O)=O
InChIKey
InChIKey=BBTOYUUSUQNIIY-UHFFFAOYSA-N
Formula
C48H56N6O10S2
Mass
941.13
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
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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
N-acyl-alpha amino acids and derivatives Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Alkyl aryl ethers Aralkylamines Thiazolidines Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Thioether - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Azacycle - Dialkylthioether - Hemithioaminal - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - 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