Compound Identification
SMILES
CC(C)(O\N=C(/C(=O)NC1C2SCC(CN3C=CC(=N)N3CCO)=C(N2C1=O)C(O)=O)C1=NSC(N)=N1)C(O)=O
InChIKey
InChIKey=NCRZMCAAYGPONN-HLSUEKNKSA-N
Formula
C21H25N9O8S2
Mass
595.61
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 Dicarboxylic acids and derivatives Imidolactams 1,3-thiazines Pyrazoles Heteroaromatic compounds Tertiary carboxylic acid amides Thiadiazoles Amidrazones Amino acids Azetidines Secondary carboxylic acid amides Carboxylic acids Alkanolamines Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary alcohols Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Meta-thiazine - Dicarboxylic acid or derivatives - Imidolactam - Pyrazole - Tertiary carboxylic acid amide - Thiadiazole - Azole - Heteroaromatic compound - Carboxylic acid amidrazone - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Amino acid - Azetidine - Alkanolamine - Azacycle - Dialkylthioether - Hemithioaminal - Carboxylic acid derivative - Carboxylic acid - Thioether - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Organic oxide - Amine - Hydrocarbon derivative - Primary amine - Primary alcohol - Organonitrogen 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