Compound Identification
SMILES
CO\N=C(/C(=O)NC1[C@H]2SCC(COC3=CC=C(Br)C=C3)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1
InChIKey
InChIKey=SNOVLFPMCNPMLE-BQSLRUDISA-N
Formula
C20H18BrN5O6S2
Mass
568.42
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Lactams
-
Subclass
Beta lactams
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Level 5
Cephems
- Level 6 Cephalosporins
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Level 5
Cephems
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Subclass
Beta lactams
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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 Phenoxy compounds Phenol ethers 2,4-disubstituted thiazoles Alkyl aryl ethers Bromobenzenes 1,3-thiazines 2-amino-1,3-thiazoles Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Amino acids Secondary carboxylic acid amides Thiohemiaminal derivatives Dialkylthioethers Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organobromides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Bromobenzene - Halobenzene - Meta-thiazine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,3-thiazol-2-amine - Benzenoid - Thiazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Dialkylthioether - Hemithioaminal - Thioether - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organobromide - Organonitrogen compound - Organic oxygen compound - Organohalogen compound - Carbonyl group - Primary amine - Amine - Organooxygen compound - Hydrocarbon derivative - 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