| CAS Number | 123795-41-5 |
| Catalog Number | AG00HHES(AGN-PC-0PHP6L) |
| Chemical Name | Methyl (2R)-2-[(tert-butoxy)carbonylamino]-3-(2-naphthyl)propanoate |
| IUPAC Name | methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoate |
| InChI | InChI=1S/C19H23NO4/c1-19(2,3)24-18(22)20-16(17(21)23-4)12-13-9-10-14-7-5-6-8-15(14)11-13/h5-11,16H,12H2,1-4H3,(H,20,22) |
| InChI Key | GUZJZIQXCBCAGJ-UHFFFAOYSA-N |
| MDL Number | MFCD14636393 |
| Molecular Formula | C19H23NO4 |
| Molecular Weight | 329.3902 |
| SMILES | COC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)OC(C)(C)C |
| Synonyms | (R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(naphthalen-2-yl)propanoate,
123795-41-5,
CTK8H2890,
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| Complexity | 443 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.396g/mol |
| Monoisotopic Mass | 329.163g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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