Compound Identification
SMILES
CC1(C)[C@@H](N2[C@@H]([C@H](NC(=O)OCC3=CC=CC=C3)C2=O)S1=O)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=XZEXIHTXXQRHFG-XLPIKJACSA-N
Formula
C29H28N2O6S
Mass
532.61
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 Benzyloxycarbonyls Thiazolidines Tertiary carboxylic acid amides Carbamate esters Sulfoxides Azetidines Carboxylic acid esters Sulfinyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid ester - Diphenylmethane - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Thiazolidine - Tertiary carboxylic acid amide - Carboxylic acid ester - Azetidine - Carboxamide group - Sulfoxide - Carboxylic acid derivative - Azacycle - Sulfinyl compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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