118203-09-1
Product Name:
L-Phenylalanine, N-[N-[(phenylmethoxy)carbonyl]-L-α-aspartyl]-, 1-[(2,4,6-trimethylphenyl)methyl] ester (9CI)
Formula:
C31H34N2O7
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COMPUTED DESCRIPTORS
| Molecular Weight | 546.6 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 14 |
| Exact Mass | 546.23660143 g/mol |
| Monoisotopic Mass | 546.23660143 g/mol |
| Topological Polar Surface Area | 131 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 826 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |