Compound Identification
SMILES
CC=CC(=O)OCC1=C(N2[C@@H](SC1)[C@H](NC(=O)C(N=O)C1=CC=CS1)C2=O)C(O)=O
InChIKey
InChIKey=IAKMNXPLXIXWJH-SHSDOYLRSA-N
Formula
C18H17N3O7S2
Mass
451.47
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 Alpha amino acid amides Fatty acid esters 1,3-thiazines Dicarboxylic acids and derivatives Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Enoate esters Tertiary amines Secondary carboxylic acid amides Amino acids Azetidines Thiohemiaminal derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Dialkylthioethers Carboxylic acids C-nitroso compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cephalosporin 3'-ester - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Fatty acid ester - Meta-thiazine - Dicarboxylic acid or derivatives - Fatty acyl - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiophene - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Azetidine - Carboxamide group - Carboxylic acid ester - Amino acid - Secondary carboxylic acid amide - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Hemithioaminal - Organic nitroso compound - Thioether - Carboxylic acid - Azacycle - Carboxylic acid derivative - C-nitroso compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - 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