Compound Identification
SMILES
COC1=CC=C(OCC(=O)OCC2=C(N3[C@@H](SC2)C(NC(=O)CC2=CC=CC=C2)C3=O)C(O)=O)C=C1
InChIKey
InChIKey=JRVDIIMTENYVBI-FHZUCYEKSA-N
Formula
C25H24N2O8S
Mass
512.53
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 Phenoxyacetic acid derivatives Phenylacetamides Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers 1,3-thiazines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Tertiary amines Amino acids Secondary carboxylic acid amides Azetidines Carboxylic acid esters Thiohemiaminal derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Phenoxyacetate - Alpha-amino acid or derivatives - Phenylacetamide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Meta-thiazine - Dicarboxylic acid or derivatives - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azetidine - Carboxylic acid ester - Amino acid or derivatives - Amino acid - Azacycle - Dialkylthioether - Hemithioaminal - Thioether - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organonitrogen 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