Compound Identification
SMILES
CC(=O)CC(=O)OCC1=C(N2[C@@H](SC1)C(NC(=O)CCCC(NC(=O)C1=CC=C(C=C1)C(C)(C)C)C(O)=O)C2=O)C(O)=O
InChIKey
InChIKey=FLBQQVDZXMGGIK-ZWNWOPDOSA-N
Formula
C29H35N3O10S
Mass
617.67
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 Hippuric acids Tricarboxylic acids and derivatives Phenylpropanes Benzoyl derivatives Beta-keto acids and derivatives Fatty acid esters 1,3-dicarbonyl compounds 1,3-thiazines N-acyl amines Tertiary carboxylic acid amides Azetidines Secondary carboxylic acid amides Carboxylic acid esters Ketones Carboxylic acids Dialkylthioethers Thiohemiaminal derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - Hippuric acid or derivatives - Hippuric acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Phenylpropane - Benzoyl - Beta-keto acid - Fatty acid ester - Meta-thiazine - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Benzenoid - Keto acid - N-acyl-amine - 1,3-dicarbonyl compound - Tertiary carboxylic acid amide - Ketone - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azetidine - Carboxylic acid - Carboxylic acid derivative - Thioether - Azacycle - Hemithioaminal - Dialkylthioether - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organic nitrogen 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