Compound Identification
SMILES
CC1(C)S[C@@H]2[C@@H](NC(=O)[C@H](N)C(=C\Cl)\C3=CC=CS3)C(=O)N2[C@H]1C(O)=O
InChIKey
InChIKey=DCEPNIDQUHIXMI-RVHDHHIASA-N
Formula
C16H18ClN3O4S2
Mass
415.91
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 N-acyl amines Thiophenes Thiazolidines Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids Secondary carboxylic acid amides Azetidines Vinyl chlorides Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Chloroalkenes Monocarboxylic acids and derivatives Dialkylthioethers Organochlorides Organic oxides Hydrocarbon derivatives Monoalkylamines Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Fatty acyl - Fatty amide - N-acyl-amine - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Thiazolidine - Amino acid or derivatives - Amino acid - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Carboxylic acid - Chloroalkene - Monocarboxylic acid or derivatives - Haloalkene - Dialkylthioether - Vinyl halide - Vinyl chloride - Hemithioaminal - Thioether - Primary aliphatic amine - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Organic oxygen compound - Amine - 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