136105-89-0
Product Name:
3-MERCAPTOPROPIONYL-BETA-3-PYRIDYL-D-ALA-PHE-GLN-ASN-CYS-PRO-ARG-GLY-NH2
Formula:
C45H63N15O11S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 1054.2 g/mol |
|---|---|
| XLogP3 | -4.7 |
| Hydrogen Bond Donor Count | 12 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 19 |
| Exact Mass | 1053.42729023 g/mol |
| Monoisotopic Mass | 1053.42729023 g/mol |
| Topological Polar Surface Area | 481 Ų |
| Heavy Atom Count | 73 |
| Formal Charge | 0 |
| Complexity | 2010 |
| 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 |