Compound Identification
SMILES
OC(=O)CN1N=NN=C1SCC1=C(N2[C@@H](SC1)[C@H](NC(=O)CCCC(N1C(=O)C3=CC=CC=C3C1=O)C(O)=O)C2=O)C(O)=O
InChIKey
InChIKey=JRZHDEXRYANMEY-PIWNRECGSA-N
Formula
C25H23N7O10S2
Mass
645.62
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 Phthalimides Tricarboxylic acids and derivatives Isoindoles Alkylarylthioethers 1,3-thiazines Benzenoids N-acyl amines N-substituted carboxylic acid imides Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Secondary carboxylic acid amides Dialkylthioethers Carboxylic acids Sulfenyl compounds Thiohemiaminal derivatives Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Phthalimide - Alpha-amino acid or derivatives - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Tricarboxylic acid or derivatives - Aryl thioether - Alkylarylthioether - Meta-thiazine - Benzenoid - Fatty acyl - Fatty amide - N-acyl-amine - Carboxylic acid imide, n-substituted - Azole - Carboxylic acid imide - Tetrazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Dialkylthioether - Sulfenyl compound - Carboxylic acid derivative - Hemithioaminal - Carboxylic acid - Thioether - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - 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