Compound Identification
SMILES
CO\N=C(/C(=O)NC1C2SCC(CC3=CN=C(SC4=CC=CC=C4)S3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1
InChIKey
InChIKey=YBTUKEOZAQCJOC-MBTHVWNTSA-N
Formula
C23H20N6O5S4
Mass
588.69
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
Direct Parent
Cephalosporins
Alternative Parents
N-acyl-alpha amino acids and derivatives Diarylthioethers Thiophenol ethers 2,4-disubstituted thiazoles 2,5-disubstituted thiazoles 1,3-thiazines 2-amino-1,3-thiazoles Benzene and substituted derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Hydrocarbon derivatives Primary amines Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Diarylthioether - Alpha-amino acid or derivatives - Thiophenol ether - Aryl thioether - 2,5-disubstituted 1,3-thiazole - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Meta-thiazine - Benzenoid - 1,3-thiazol-2-amine - Azole - Thiazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Thioether - Hemithioaminal - Sulfenyl compound - Monocarboxylic acid or derivatives - Dialkylthioether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen 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