| CAS Number | 1212247-26-1 |
| Catalog Number | AG01DQBD |
| Chemical Name | tert-Butyl ((2S,3S)-1-(((S)-1-cyano-3-methylbutyl)amino)-3-methyl-1-oxopentan-2-yl)carbamate |
| IUPAC Name | tert-butyl N-[(2S,3S)-1-[[(1S)-1-cyano-3-methylbutyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate |
| InChI | InChI=1S/C17H31N3O3/c1-8-12(4)14(20-16(22)23-17(5,6)7)15(21)19-13(10-18)9-11(2)3/h11-14H,8-9H2,1-7H3,(H,19,21)(H,20,22)/t12-,13-,14-/m0/s1 |
| InChI Key | XLWZJEAUSXBPLM-IHRRRGAJSA-N |
| MDL Number | MFCD11501906 |
| Molecular Formula | C17H31N3O3 |
| Molecular Weight | 325.4463 |
| SMILES | CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C#N |
| Synonyms | TERT-BUTYL (2S,3S)-1-((S)-1-CYANO-3-METHYLBUTYLAMINO)-3-METHYL-1-OXOPENTAN-2-YLCARBAMATE,
1212247-26-1,
1820570-02-2,
tert-Butyl ((2S,3S)-1-(((S)-1-cyano-3-methylbutyl)amino)-3-methyl-1-oxopentan-2-yl)carbamate,
AR2588,
MFCD11501906,
ZINC35287621,
AKOS027334924,
AS-45392,
|
| Complexity | 446 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.237g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.453g/mol |
| Monoisotopic Mass | 325.237g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 91.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number