Compound Identification
SMILES
COCC1=C(N2[C@@H](SC1)[C@H](NC(=O)C(=N/OC)\C(=O)CCl)C2=O)C(=O)O[C@@H](C)OC(=O)OC(C)C
InChIKey
InChIKey=NSXPMRQJNBDSGU-KZJIYECMSA-N
Formula
C20H26ClN3O10S
Mass
535.95
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 N-acyl amines Carbonic acid diesters Tertiary carboxylic acid amides Alpha-chloroketones Enoate esters Secondary carboxylic acid amides Oxime ethers Azetidines Thiohemiaminal derivatives Acetals Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Dialkyl ethers Hydrocarbon derivatives Organic oxides Alkyl chlorides Aldehydes Organochlorides Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Meta-thiazine - Carbonic acid diester - Fatty amide - N-acyl-amine - Fatty acyl - Alpha-haloketone - Alpha-chloroketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Ketone - Carbonic acid derivative - Oxime ether - Secondary carboxylic acid amide - Thioether - Hemithioaminal - Dialkylthioether - Azacycle - Monocarboxylic acid or derivatives - Acetal - Carboxylic acid derivative - Ether - Dialkyl ether - Organohalogen compound - Organic oxide - Aldehyde - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organic oxygen compound - Alkyl chloride - Aliphatic 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