Compound Identification
SMILES
CC=CC(=O)OCC1=C(N2[C@H]3SC1C1=C(SC=C1)[C@@]3(NC(C)=O)C2=O)C(=O)OC(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=UXEDLPATDJGZTJ-KQNYMCNKSA-N
Formula
C31H26N2O6S2
Mass
586.68
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Lactams
-
Subclass
Beta lactams
-
Level 5
Cephems
-
Level 6
Cephalosporins
- Level 7 Cephalosporin 3'-esters
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Level 6
Cephalosporins
-
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 - Cephalosporins
Direct Parent
Cephalosporin 3'-esters
Alternative Parents
N-acyl-alpha amino acids and derivatives Diphenylmethanes Benzyloxycarbonyls Fatty acid esters Thiopyrans 1,3-thiazines Dicarboxylic acids and derivatives Thiophenes Tertiary carboxylic acid amides Acetamides Heteroaromatic compounds Enoate esters Tertiary amines Azetidines Secondary carboxylic acid amides Azacyclic compounds Thiohemiaminal derivatives Dialkylthioethers Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Diphenylmethane - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Fatty acid ester - Meta-thiazine - Monocyclic benzene moiety - Thiopyran - Benzenoid - Fatty acyl - Dicarboxylic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Thiophene - Heteroaromatic compound - Tertiary carboxylic acid amide - Acetamide - Enoate ester - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Tertiary amine - Dialkylthioether - Azacycle - Carboxylic acid derivative - Hemithioaminal - Thioether - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cephalosporin 3'-esters. These are cephalosporins that are esterified at the 3'-position.
External Descriptors
Not available