Compound Identification
SMILES
Cl.CCOC(=O)OC(C)OC(=O)C1N2C(SC1(C)C)C(NC(=O)[C@H](N)C1=CC=CC=C1)C2=O
InChIKey
InChIKey=IWVTXAGTHUECPN-WAPAZPKCSA-N
Formula
C21H28ClN3O7S
Mass
501.98
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 esters Alpha amino acid amides Phenylacetamides Aralkylamines Carbonic acid diesters Thiazolidines Tertiary carboxylic acid amides Secondary carboxylic acid amides Carboxylic acid esters Azetidines Thiohemiaminal derivatives Acetals Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Monoalkylamines Organic oxides Organopnictogen compounds
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 - Aralkylamine - Monocyclic benzene moiety - Carbonic acid diester - Benzenoid - Thiazolidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Amino acid or derivatives - Azetidine - Carbonic acid derivative - Carboxamide group - Carboxylic acid ester - Azacycle - Hemithioaminal - Thioether - Dialkylthioether - Acetal - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Hydrochloride - Primary aliphatic amine - Organic oxide - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organic oxygen compound - Primary amine - 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