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130942-96-0

130942-96-0 structural image
Product Name: (1-ADAMANTANEACETYL-D-ARG0,HYP3,BETA-(2-THIENYL)-ALA5,8,D-PHE7)-BRADYKININ
Formula: C68H99N19O14S2
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COMPUTED DESCRIPTORS

Molecular Weight 1470.8 g/mol
XLogP3 -0.6
Hydrogen Bond Donor Count 17
Hydrogen Bond Acceptor Count 19
Rotatable Bond Count 39
Exact Mass 1469.70603126 g/mol
Monoisotopic Mass 1469.70603126 g/mol
Topological Polar Surface Area 601 Ų
Heavy Atom Count 103
Formal Charge 0
Complexity 3020
Isotope Atom Count 0
Defined Atom Stereocenter Count 10
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes