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112465-00-6

112465-00-6 structural image
Product Name: 1-ADAMANTANEACETYL-D-TYR[O-ETHYL]-PHE-VAL-ASN-ABU-PRO-ARG-ARG-NH2
Formula: C62H94N16O11
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COMPUTED DESCRIPTORS

Molecular Weight 1239.5 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 13
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 35
Exact Mass 1238.72879788 g/mol
Monoisotopic Mass 1238.72879788 g/mol
Topological Polar Surface Area 448 Ų
Heavy Atom Count 89
Formal Charge 0
Complexity 2470
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