Compound Identification
SMILES
CC1(C)SC2C(NC(=O)C(N=CC3=CC=CO3)C3=CC=CC=C3)C(=O)N2C1C(O)=O
InChIKey
InChIKey=VKVMKISMODXYDD-UHFFFAOYSA-N
Formula
C21H21N3O5S
Mass
427.48
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
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides Thiazolidines Tertiary carboxylic acid amides Furans Heteroaromatic compounds Azetidines Shiff bases Secondary carboxylic acid amides Monocarboxylic acids and derivatives Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Phenylacetamide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Tertiary carboxylic acid amide - Thiazolidine - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Shiff base - Aldimine - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Hemithioaminal - Imine - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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