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127290-94-2

127290-94-2 structural image
Product Name: vasopressin, (1-(2-mercapto)propionic acid)-N(6)-5-dimethylaminonaphthalene-1-sulfonyl-8-Lys-
Formula: C58H75N13O14S3
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COMPUTED DESCRIPTORS

Molecular Weight 1274.5 g/mol
XLogP3 -0.1
Hydrogen Bond Donor Count 12
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 23
Exact Mass 1273.47185764 g/mol
Monoisotopic Mass 1273.47185764 g/mol
Topological Polar Surface Area 482 Ų
Heavy Atom Count 88
Formal Charge 0
Complexity 2550
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 7
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes