35849-47-9
Product Name:
ethyl N-[3-[bis(2-chloroethyl)amino]-3-phenyl-N-L-prolyl-L-alanyl]-4-fluoro-3-phenyl-L-alaninate monohydrochloride
Formula:
C29H38Cl3FN4O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 632.0 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 16 |
| Exact Mass | 630.194267 g/mol |
| Monoisotopic Mass | 630.194267 g/mol |
| Topological Polar Surface Area | 99.8 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 790 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |