Compound Identification
SMILES
NCCSCC1=C(SC2=C(N3[C@H](SC2)[C@H](NC(=O)C(\N=O)=C2\NC(N)=CC=C2)C3=O)C(O)=O)SC(SCCN)=N1
InChIKey
InChIKey=NYOBCQJPKACYIV-KMTUBLAMSA-N
Formula
C22H26N8O5S5
Mass
642.8
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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 Alpha amino acid amides 2,4,5-trisubstituted thiazoles Alkylarylthioethers Dihydropyridines Vinylogous thioesters 1,3-thiazines Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Thioenol ethers Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Ketene acetals Thiohemiaminal derivatives Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids C-nitroso compounds Azacyclic compounds Carbonyl compounds Monoalkylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Aryl thioether - Alkylarylthioether - Dihydropyridine - Meta-thiazine - Vinylogous thioester - Hydropyridine - Tertiary carboxylic acid amide - Heteroaromatic compound - Thiazole - Vinylogous amide - Azole - Carboxamide group - Ketene acetal or derivatives - Thioenolether - Azetidine - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Amino acid - Organic nitroso compound - Azacycle - Dialkylthioether - C-nitroso compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Primary aliphatic amine - Amine - Primary amine - Organonitrogen compound - Organooxygen compound - 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