Compound Identification
SMILES
CN(C)C(=O)C=CSC1=C(N2[C@@H](SC1)[C@H](NC(=O)COC1=CC=CC=C1)C2=O)C(O)=O
InChIKey
InChIKey=TYAMKLUQCQKWPE-APWZRJJASA-N
Formula
C20H21N3O6S2
Mass
463.52
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 Phenol ethers Phenoxy compounds Alkyl aryl ethers Vinylogous thioesters 1,3-thiazines Acrylic acids and derivatives Tertiary carboxylic acid amides Thioenol ethers Tertiary amines Amino acids Azetidines Secondary carboxylic acid amides Dialkylthioethers Carboxylic acids Thiohemiaminal derivatives Monocarboxylic acids and derivatives Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Meta-thiazine - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Acrylic acid or derivatives - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Thioenolether - Hemithioaminal - Thioether - Sulfenyl compound - Azacycle - Monocarboxylic acid or derivatives - Ether - Dialkylthioether - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Amine - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - 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