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125692-40-2

125692-40-2 structural image
Product Name: H-CYS-THR-CYS-PHE-THR-TYR-LYS-ASP-LYS-GLU-CYS-VAL-TYR-TYR-CYS-HIS-LEU-ASP-ILE-ILE-TRP-OH
Formula: C121H168N26O33S4
Synonyms: ET-3
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COMPUTED DESCRIPTORS

Molecular Weight 2643.1 g/mol
XLogP3 -4.3
Hydrogen Bond Donor Count 34
Hydrogen Bond Acceptor Count 41
Rotatable Bond Count 49
Exact Mass 2642.1183514 g/mol
Monoisotopic Mass 2641.1149966 g/mol
Topological Polar Surface Area 1060 Ų
Heavy Atom Count 184
Formal Charge 0
Complexity 5720
Isotope Atom Count 0
Defined Atom Stereocenter Count 25
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

A 21-amino acid peptide that circulates in the plasma, but its source is not known. Endothelin-3 has been found in high concentrations in the brain and may regulate important functions in neurons and astrocytes, such as proliferation and development. It also is found throughout the gastrointestinal tract and in the lung and kidney. (N Eng J Med 1995;333(6):356-63)

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