103733-36-4
Product Name:
[3S-[2[R*(R*)],3R*]]-2-[2-[[1-(Ethoxycarbonyl)-3-phenylpropyl]aMino]-1-oxopropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic Acid Ethyl Ester (2Z)-2-Butenedioate
Formula:
C31H38N2O9
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 466.6 g/mol |
|---|---|
| XLogP3 | 4.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 12 |
| Exact Mass | 466.24677219 g/mol |
| Monoisotopic Mass | 466.24677219 g/mol |
| Topological Polar Surface Area | 84.9 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 678 |
| 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 |