Compound Identification
SMILES
NC1=NC(=CS1)C(=N\OCC#C)\C(=O)NC1C2SCC(SC3=NC(N)=NC(N)=C3)=C(N2C1=O)C(O)=O
InChIKey
InChIKey=IKWZSUSZEVJTOV-BCHBDCPOSA-N
Formula
C19H17N9O5S3
Mass
547.58
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 Aryl thioethers 2,4-disubstituted thiazoles Aminopyrimidines and derivatives Vinylogous thioesters 1,3-thiazines 2-amino-1,3-thiazoles Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Thioenol ethers Tertiary amines Amino acids Secondary carboxylic acid amides Azetidines Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Acetylides Sulfenyl compounds Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Primary amines Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Aminopyrimidine - Meta-thiazine - 1,3-thiazol-2-amine - Vinylogous thioester - Imidolactam - Pyrimidine - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Thioenolether - Thioether - Hemithioaminal - Sulfenyl compound - Dialkylthioether - Azacycle - Monocarboxylic acid or derivatives - Acetylide - Carboxylic acid - Carboxylic acid derivative - Primary amine - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organosulfur 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