Compound Identification
SMILES
OC(C(=O)NC1[C@@H]2SCC(C(CCCNCC(O)=O)SC3=NNN=N3)=C(N2C1=O)C(O)=O)C1=CC=CC=C1
InChIKey
InChIKey=CGJQCDFISAFRLH-AOQPMZQESA-N
Formula
C22H25N7O7S2
Mass
563.6
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 acids Phenylacetamides Alkylarylthioethers 1,3-thiazines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Tetrazoles Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Amino acids Azetidines Sulfenyl compounds Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Dialkylamines Carboxylic acids Organic oxides Carbonyl compounds Aromatic alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Phenylacetamide - Aryl thioether - Alkylarylthioether - Meta-thiazine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Secondary amine - Sulfenyl compound - Dialkylthioether - Secondary aliphatic amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Amine - Organonitrogen compound - Organic nitrogen compound - Aromatic alcohol - 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