Compound Identification
SMILES
C\C=C(/C)C(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)C(=N/O)\C1=CN=C(N)S1)C2=O)C(O)=O
InChIKey
InChIKey=ACCJAJAAJMTSPA-NWTSILKMSA-N
Formula
C18H19N5O7S2
Mass
481.5
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 2,5-disubstituted thiazoles Fatty acid esters 1,3-thiazines 2-amino-1,3-thiazoles Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Enoate esters Ketoximes 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 - 2,5-disubstituted 1,3-thiazole - Fatty acid ester - Meta-thiazine - Dicarboxylic acid or derivatives - Fatty acyl - 1,3-thiazol-2-amine - Ketoxime - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Azole - Amino acid or derivatives - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Amino acid - Azetidine - Azacycle - Dialkylthioether - Hemithioaminal - Carboxylic acid derivative - Thioether - Carboxylic acid - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Primary amine - Organooxygen 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