Compound Identification
SMILES
Br.CC1=C(COC(=O)[C@@H]2N3[C@H](SC2(C)C)[C@H](NC(=O)[C@H](N)C2=CC=CC=C2)C3=O)OC(=O)O1
InChIKey
InChIKey=SOOQUVLRNBEGMC-GLCLSGQWSA-N
Formula
C21H24BrN3O7S
Mass
542.4
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 Alpha amino acid amides Phenylacetamides Aralkylamines Carbonic acid diesters Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Carboxylic acid esters Thiohemiaminal derivatives Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylthioethers Monoalkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Hydrobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - Aralkylamine - Carbonic acid diester - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azetidine - Carboxylic acid ester - Secondary carboxylic acid amide - Oxacycle - Azacycle - Dialkylthioether - Carboxylic acid derivative - Hemithioaminal - Monocarboxylic acid or derivatives - Thioether - Amine - Organic oxide - Carbonyl group - Hydrobromide - Organic oxygen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary 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