Compound Identification
SMILES
CC1(C)S[C@H]2[C@H](NC(=O)[C@@H](N=C)C3=CC=CC=C3)C(=O)N2[C@@H]1C([O-])=O
InChIKey
InChIKey=FZECHKJQHUVANE-YFCNSXCBSA-M
Formula
C17H18N3O4S
Mass
360.41
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 Amino acids Azetidines Carboxylic acid salts Tertiary amines Secondary carboxylic acid amides Dialkylthioethers Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Thiohemiaminal derivatives Imines Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic anions
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 - Tertiary carboxylic acid amide - Thiazolidine - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid salt - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Hemithioaminal - Thioether - Dialkylthioether - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Imine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic anion - 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