Compound Identification
SMILES
CS(=O)(=O)OC1=C(N2[C@H](SC1)[C@H](NC(=O)CC1=CC=CC=C1)C2=O)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=NWRAKIYILKAIFB-UFHPHHKVSA-N
Formula
C29H26N2O7S2
Mass
578.65
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 Diphenylmethanes Phenylacetamides Benzyloxycarbonyls Sulfonic acid esters Organosulfonic acid esters 1,3-thiazines Tertiary carboxylic acid amides Sulfonyls Methanesulfonates Enoate esters Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin - N-acyl-alpha amino acid or derivatives - Diphenylmethane - Phenylacetamide - Benzyloxycarbonyl - Alpha-amino acid or derivatives - Benzenoid - Organosulfonic acid ester - Sulfonic acid ester - Monocyclic benzene moiety - Meta-thiazine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Azetidine - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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