compound 16a [Sharratt <i>et al.</i>, 1994] | Ligand page

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compound 16a [Sharratt et al., 1994]

compound 16a [Sharratt et al., 1994]

Ligand id: 3107

Name: compound 16a [Sharratt et al., 1994]

Structure and Physico-chemical Properties

2D Structure

Calculated Physico-chemical Properties
Hydrogen bond acceptors	15
Hydrogen bond donors	5
Rotatable bonds	21
Topological polar surface area	246.28
Molecular weight	705.3
XLogP	5.55
No. Lipinski's rules broken	3

Molecular properties generated using the CDK

Classification
Compound class	Synthetic organic

IUPAC Name
(2S,4R,5S,6S)-2-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-2-carbamoyl-4-({[(2E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy}methyl)-5-hydroxy-1,3-dioxane-4,5,6-tricarboxylic acid

IUPAC Name

(2S,4R,5S,6S)-2-[(4S,5R)-4-(acetyloxy)-5-benzyl-3-methylidenehexyl]-2-carbamoyl-4-({[(2E,4S,6S)-4,6-dimethyloct-2-enoyl]oxy}methyl)-5-hydroxy-1,3-dioxane-4,5,6-tricarboxylic acid

Database Links
ChEMBL Ligand	CHEMBL160176
GtoPdb PubChem SID	135649713
PubChem CID	44373472
Search Google for chemical match using the InChIKey	TWYYFYNJOJGNFP-CUXYNZQBSA-N
Search Google for chemicals with the same backbone	TWYYFYNJOJGNFP
Search UniChem for chemical match using the InChIKey	TWYYFYNJOJGNFP-CUXYNZQBSA-N
Search UniChem for chemicals with the same backbone	TWYYFYNJOJGNFP