CHEMICAL AND PHYSICAL PROPERTIES
Solubility | Soluble in water. |
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COMPUTED DESCRIPTORS
Molecular Weight | 1047.2 g/mol |
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XLogP3 | 4.7 |
Hydrogen Bond Donor Count | 9 |
Hydrogen Bond Acceptor Count | 11 |
Rotatable Bond Count | 18 |
Exact Mass | 1046.50142372 g/mol |
Monoisotopic Mass | 1046.50142372 g/mol |
Topological Polar Surface Area | 281 Ų |
Heavy Atom Count | 77 |
Formal Charge | 0 |
Complexity | 1940 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 7 |
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
Pasireotide is a six-membered homodetic cyclic peptide composed from L-phenylglycyl, D-tryptophyl, L-lysyl, O-benzyl-L-tyrosyl, L-phenylalanyl and modified L-hydroxyproline residues joined in sequence. A somatostatin analogue with pharmacologic properties mimicking those of the natural hormone somatostatin; used (as its diaspartate salt) for treatment of Cushing's disease. It has a role as an antineoplastic agent. It is a homodetic cyclic peptide and a peptide hormone. It is a conjugate base of a pasireotide(2+).