Compound Identification
SMILES
CON=C(C(=O)N[C@H]1[C@H]2SCC(COC(=O)C(C)=CC)=C(N2C1=O)C(O)=O)C1=CSC(N)=N1
InChIKey
InChIKey=YXLZGRVADRZMLV-MLGOLLRUSA-N
Formula
C19H21N5O7S2
Mass
495.53
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
-
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 2,4-disubstituted thiazoles Fatty acid esters 1,3-thiazines 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Enoate esters Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Carboxylic acids Thiohemiaminal derivatives Azacyclic compounds Dialkylthioethers Carbonyl compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - 2,4-disubstituted 1,3-thiazole - Fatty acid ester - Meta-thiazine - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Fatty acyl - Azole - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary carboxylic acid amide - Thiazole - Amino acid or derivatives - Azetidine - Amino acid - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Tertiary amine - Dialkylthioether - Azacycle - Carboxylic acid - Carboxylic acid derivative - Hemithioaminal - Thioether - Hydrocarbon derivative - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Primary amine - 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