Compound Identification
SMILES
C[N+]1(CC2=C(N3[C@H](SC2)[C@H](NC(=O)CC2=CC=CC=C2)C3=O)C(=O)OC(C2=CC=CC=C2)C2=CC=CC=C2)CCCC1
InChIKey
InChIKey=WNJAOSSZCNAVSP-CYTLCNBWSA-O
Formula
C34H36N3O4S
Mass
582.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
-
Level 5
Cephems
-
Subclass
Beta lactams
-
Class
Lactams
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Lactams
Subclass
Beta lactams
Intermediate Tree Nodes
Cephems - Cephalosporins
Direct Parent
3'-quaternary ammonium cephalosporins
Alternative Parents
Diphenylmethanes N-acyl-alpha amino acids and derivatives Benzyloxycarbonyls Phenylacetamides 1,3-thiazines N-alkylpyrrolidines Tetraalkylammonium salts Tertiary carboxylic acid amides Enoate esters Azetidines Tertiary amines Secondary carboxylic acid amides Thiohemiaminal derivatives Dialkylthioethers Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3'-quaternary ammonium cephalosporin - Diphenylmethane - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Phenylacetamide - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Tetraalkylammonium salt - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Pyrrolidine - Quaternary ammonium salt - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Tertiary amine - Dialkylthioether - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Hemithioaminal - Thioether - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3'-quaternary ammonium cephalosporins. These are cephalosporins that are substituted at the 3'-position by a quaternary ammonium group.
External Descriptors
Not available