Compound Identification
SMILES
COC1=CC=C(OCC(=O)OCC2=C(N3[C@H](C(NC(=O)CC4=CC=CC=C4)C3=O)S(=O)C2)C(O)=O)C=C1
InChIKey
InChIKey=RJAWMCPWMNBYBB-UNYNPJMGSA-N
Formula
C25H24N2O9S
Mass
528.53
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
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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 Phenoxyacetic acid derivatives Phenylacetamides Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Dicarboxylic acids and derivatives 1,3-thiazines Tertiary carboxylic acid amides Tertiary amines Amino acids Carboxylic acid esters Azetidines Sulfoxides Secondary carboxylic acid amides Carboxylic acids Azacyclic compounds Sulfinyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
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 - Methoxybenzene - Anisole - Phenol ether - Alkyl aryl ether - Meta-thiazine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Tertiary carboxylic acid amide - Amino acid - Carboxamide group - Carboxylic acid ester - Amino acid or derivatives - Azetidine - Secondary carboxylic acid amide - Sulfoxide - Tertiary amine - Carboxylic acid - Sulfinyl compound - Carboxylic acid derivative - Ether - Azacycle - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - 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