CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | White to off-white powder |
|---|---|
| Solubility | Slightly soluble |
| Other Experimental Properties | Amorphous |
COMPUTED DESCRIPTORS
| Molecular Weight | 1526.8 g/mol |
|---|---|
| XLogP3 | -6.8 |
| Hydrogen Bond Donor Count | 19 |
| Hydrogen Bond Acceptor Count | 28 |
| Rotatable Bond Count | 13 |
| Exact Mass | 1525.3899216 g/mol |
| Monoisotopic Mass | 1525.3899216 g/mol |
| Topological Polar Surface Area | 726 Ų |
| Heavy Atom Count | 101 |
| Formal Charge | 0 |
| Complexity | 3030 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 14 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Linaclotide is a fourteen-membered heterodetic cyclic peptide consisting of Cys, Cys, Glu, Tyr, Cys, Cys, Asn, Pro, Ala, Cys, Thr, Gly, Cys and Tyr residues joined in sequence and cyclised by three disulfide bonds: between Cys(1) and Cys(6), between Cys(2) and Cys(10), and between Cys(5) and Cys(13). Used for treatment of irritable bowel syndrome accompanied by constipation. It has a role as a guanylate cyclase 2C agonist.