Compound Identification
SMILES
CC1(C)[C@@H](N2[C@@H]([C@H](NC(=O)CC3=CC=C(CN)C=C3)C2=O)[S@]1=O)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=XODPYFNUBDMDHL-BSKXAFDESA-N
Formula
C30H31N3O5S
Mass
545.65
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 Diphenylmethanes N-acyl-alpha amino acids and derivatives Benzyloxycarbonyls Phenylacetamides Benzylamines Phenylmethylamines Aralkylamines Thiazolidines Tertiary carboxylic acid amides Tertiary amines Sulfoxides Azetidines Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Sulfinyl compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid ester - Diphenylmethane - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Benzylamine - Phenylmethylamine - Aralkylamine - Benzenoid - Monocyclic benzene moiety - Thiazolidine - Tertiary carboxylic acid amide - Sulfoxide - Secondary carboxylic acid amide - Carboxylic acid ester - Azetidine - Carboxamide group - Amino acid or derivatives - Tertiary amine - Sulfinyl compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary aliphatic amine - Carbonyl group - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - 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