Compound Identification
SMILES
CC1=C(N2[C@H](SC1=O)[C@H](NC(=O)CC1=CC=CS1)C2=O)C(O)=O
InChIKey
InChIKey=NXXMCMFFLATVTQ-BXKDBHETSA-N
Formula
C14H12N2O5S2
Mass
352.38
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 1,3-thiazines Vinylogous amides Carbothioic S-lactones Heteroaromatic compounds Thiophenes Tertiary carboxylic acid amides Azetidines Secondary carboxylic acid amides Thioesters Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Thiohemiaminal derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Meta-thiazine - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous amide - Carbothioic s-lactone - Thiophene - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Thiocarboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Thiocarboxylic acid or derivatives - Hemithioaminal - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen 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