Compound Identification
SMILES
C[N+](C)(C\C=C\C1=C(N2[C@H](SC1)[C@H](NC(=O)CSC1=CC3=CC=CC=C3C=C1)C2=O)C(O)=O)CC(N)=O
InChIKey
InChIKey=QHARTVGAFFCTJL-BLNKRPNWSA-O
Formula
C26H29N4O5S2
Mass
541.66
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
- Level 6 Cephalosporins
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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
Direct Parent
Cephalosporins
Alternative Parents
N-acyl-alpha amino acids and derivatives Alpha amino acid amides Naphthalenes Thiophenol ethers Alkylarylthioethers 1,3-thiazines Tetraalkylammonium salts Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Primary carboxylic acid amides Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Sulfenyl compounds Azacyclic compounds Thiohemiaminal derivatives Hydrocarbon derivatives Carbonyl compounds Amines Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Naphthalene - Alpha-amino acid or derivatives - Thiophenol ether - Aryl thioether - Alkylarylthioether - Benzenoid - Meta-thiazine - Tetraalkylammonium salt - Tertiary carboxylic acid amide - Quaternary ammonium salt - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxamide group - Azetidine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Hemithioaminal - Thioether - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof.
External Descriptors
Not available