| CAS Number | 2007916-37-0 |
| Catalog Number | AG01DFHT |
| Chemical Name | (R)-Methyl 2-(benzylamino)-3-((tert-butoxycarbonyl)amino)-3-methylbutanoate |
| IUPAC Name | methyl (2R)-2-(benzylamino)-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate |
| InChI | InChI=1S/C18H28N2O4/c1-17(2,3)24-16(22)20-18(4,5)14(15(21)23-6)19-12-13-10-8-7-9-11-13/h7-11,14,19H,12H2,1-6H3,(H,20,22)/t14-/m0/s1 |
| InChI Key | XQGGDDKJDXCGBU-AWEZNQCLSA-N |
| MDL Number | MFCD30472111 |
| Molecular Formula | C18H28N2O4 |
| Molecular Weight | 336.4259 |
| SMILES | COC(=O)[C@@H](C(NC(=O)OC(C)(C)C)(C)C)NCc1ccccc1 |
| Synonyms | 2007916-37-0,
MFCD30472111,
AKOS030628402,
ZINC498051139,
(R)-Methyl 2-(benzylamino)-3-((t-butoxycarbonyl)amino)-3-methylbutanoate,
(R)-Methyl 2-(benzylamino)-3-((tert-butoxycarbonyl)amino)-3-methylbutanoate,
|
| Complexity | 423 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.432g/mol |
| Monoisotopic Mass | 336.205g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number