114455-29-7
Product Name:
BETA-MERCAPTO-BETA,BETA-CYCLOPENTAMETHYLENE-PROPIONYL-D-ILE-PHE-ILE-ASN-CYS-PRO-ARG-ALA-NH2
Formula:
C50H79N13O10S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 1086.4 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 11 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 18 |
| Exact Mass | 1085.55142811 g/mol |
| Monoisotopic Mass | 1085.55142811 g/mol |
| Topological Polar Surface Area | 425 Ų |
| Heavy Atom Count | 75 |
| Formal Charge | 0 |
| Complexity | 2050 |
| 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 |