Compound Identification
SMILES
OC1=C(N2[C@H](SC1)[C@@H](NC(=O)CC1=CC=CC=C1)C2=O)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=AJAYYHYWTPEASL-GHTZIAJQSA-N
Formula
C22H19N3O7S
Mass
469.47
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 Phenylacetamides Benzyloxycarbonyls Nitrobenzenes Nitroaromatic compounds 1,3-thiazines Vinylogous acids Tertiary carboxylic acid amides Enoate esters Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Monocarboxylic acids and derivatives Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Carbonyl compounds Organic salts Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Benzyloxycarbonyl - Nitrobenzene - Nitroaromatic compound - Meta-thiazine - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous acid - Azetidine - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Carboxamide group - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Dialkylthioether - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Hemithioaminal - Thioether - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Organic salt - Organonitrogen compound - Organooxygen compound - Organic oxygen 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