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116331-58-9

116331-58-9 structural image
Product Name: SAR-VAL-TYR-ILE-HIS-PRO-ILE ACETATE SALT
Formula: C40H61N9O9
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COMPUTED DESCRIPTORS

Molecular Weight 812.0 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 9
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 22
Exact Mass 811.45922456 g/mol
Monoisotopic Mass 811.45922456 g/mol
Topological Polar Surface Area 264 Ų
Heavy Atom Count 58
Formal Charge 0
Complexity 1410
Isotope Atom Count 0
Defined Atom Stereocenter Count 8
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes