955034-25-0
Product Name:
(3S)-3,4-Dihydro-2-[(2S)-2-[[(1S)-1-[(1-Methylethoxy)carbonyl]-3-phenylpropyl]aMino]-1-oxopropyl]-3(1H)-isoquinolinecarboxylic Acid
Formula:
C26H32N2O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 452.5 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 452.23112213 g/mol |
| Monoisotopic Mass | 452.23112213 g/mol |
| Topological Polar Surface Area | 95.9 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 676 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |