Compound Identification
SMILES
FC1=NC2=CC=CC=C2C=C1.CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)C3=CC=CC=C3)C(=O)N2[C@H]1C(O)=O
InChIKey
InChIKey=MCEYNLPQJUZHEF-YWUHCJSESA-N
Formula
C25H25FN4O4S
Mass
496.56
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 Haloquinolines Phenylacetamides 2-halopyridines Aralkylamines Aryl fluorides Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Amino acids Secondary carboxylic acid amides Azetidines Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organofluorides Organic oxides Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Not available
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Haloquinoline - Quinoline - Phenylacetamide - Alpha-amino acid or derivatives - 2-halopyridine - Aralkylamine - Benzenoid - Pyridine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazolidine - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Thioether - Hemithioaminal - Dialkylthioether - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Primary amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - 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