Compound Identification
SMILES
CC1(C)S[C@H]2[C@@H](NC(=O)[C@H](N=CC3=CC=CC=C3)C3=CC=CC=C3)C(=O)N2[C@@H]1C(=O)OCOC(=O)[C@H]1N2C(CC2=O)S(=O)(=O)C1(C)C
InChIKey
InChIKey=WBJSIGVXRJZDPF-UUFXGYQOSA-N
Formula
C32H34N4O9S2
Mass
682.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Alpha amino acid esters N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides Acylals Dicarboxylic acids and derivatives Thiazolidines Tertiary carboxylic acid amides Sulfones Shiff bases Secondary carboxylic acid amides Azetidines Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Acetals Azacyclic compounds Thiohemiaminal derivatives Carbonyl compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
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 - Acylal - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Sulfone - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Shiff base - Thioether - Dialkylthioether - Hemithioaminal - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Acetal - Aldimine - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Imine - 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