| CAS Number | 176794-99-3 |
| Catalog Number | AG00HZP7(AGN-PC-0WR6ZR) |
| Chemical Name | Methyl (2r)-2-[(tert-butoxy)carbonylamino]-3-(4-fluorophenyl)propanoate |
| IUPAC Name | methyl (2R)-3-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
| InChI | InChI=1S/C15H20FNO4/c1-15(2,3)21-14(19)17-12(13(18)20-4)9-10-5-7-11(16)8-6-10/h5-8,12H,9H2,1-4H3,(H,17,19)/t12-/m1/s1 |
| InChI Key | CSKFYKNIJQMDLZ-GFCCVEGCSA-N |
| MDL Number | MFCD14636381 |
| Molecular Formula | C15H20FNO4 |
| Molecular Weight | 297.3220 |
| SMILES | COC(=O)[C@@H](Cc1ccc(cc1)F)NC(=O)OC(C)(C)C |
| Synonyms | Methyl (2r)-2-[(tert-butoxy)carbonylamino]-3-(4-fluorophenyl)propanoate,
176794-99-3,
Boc-D-p-F-Phe-OMe,
CSKFYKNIJQMDLZ-GFCCVEGCSA-N,
ZINC57626599,
Boc-4-fluoro-D-phenyl alanine methylester,
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| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.326g/mol |
| Monoisotopic Mass | 297.138g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number