Compound Identification
SMILES
CN1CC(C(=O)NCCOC(=O)C2N3C(SC2(C)C)C(NC(=O)CC2=CC=CC=C2)C3=O)=C2C=CC=CC2=C1
InChIKey
InChIKey=XUSAGBLNIJPSFR-UHFFFAOYSA-N
Formula
C29H32N4O5S
Mass
548.66
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 Dihydroisoquinolines Phenylacetamides Thiazolidines Tertiary carboxylic acid amides Trialkylamines Azetidines Carboxylic acid esters Secondary carboxylic acid amides Thiohemiaminal derivatives Dialkylthioethers Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Dihydroisoquinoline - Phenylacetamide - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Thiazolidine - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Thioether - Azacycle - Hemithioaminal - Dialkylthioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen 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