Compound Identification
SMILES
OCC1=C(N2[C@@H](SC1)[C@H](NC(=O)CCCC(N1C(=O)C3=CC=CC=C3C1=O)C(O)=O)C2=O)C(O)=O
InChIKey
InChIKey=OPRAFECXTZCBHM-LTWKLWEGSA-N
Formula
C22H21N3O9S
Mass
503.48
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 Phthalimides Isoindoles Medium-chain fatty acids Heterocyclic fatty acids Hydroxy fatty acids 1,3-thiazines Benzenoids Dicarboxylic acids and derivatives N-substituted carboxylic acid imides N-acyl amines Tertiary carboxylic acid amides Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Primary alcohols Carbonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Phthalimide - Alpha-amino acid or derivatives - Isoindolone - Isoindole or derivatives - Isoindole - Isoindoline - Medium-chain fatty acid - Hydroxy fatty acid - Heterocyclic fatty acid - Fatty amide - Fatty acyl - Carboxylic acid imide, n-substituted - Meta-thiazine - N-acyl-amine - Dicarboxylic acid or derivatives - Benzenoid - Tertiary carboxylic acid amide - Carboxylic acid imide - Carboxamide group - Secondary carboxylic acid amide - Azetidine - Carboxylic acid derivative - Azacycle - Carboxylic acid - Dialkylthioether - Hemithioaminal - Thioether - Organic nitrogen compound - Organopnictogen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Primary alcohol - Organooxygen compound - Organonitrogen 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