166169-15-9
Product Name:
(S,S)-2-(2-AMINO-3-METHYL-BUTYRYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID BENZYL ESTER, HCL
Formula:
C22H26N2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 402.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 402.1710204 g/mol |
| Monoisotopic Mass | 402.1710204 g/mol |
| Topological Polar Surface Area | 72.6 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 516 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |