| CAS Number | 91292-59-0 |
| Catalog Number | AG00IGKW(AGN-PC-0VS0QU) |
| Chemical Name | Boc-n-me-l-met-oh dcha |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylsulfanylbutanoic acid |
| InChI | InChI=1S/C12H23N.C11H21NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-11(2,3)16-10(15)12(4)8(9(13)14)6-7-17-5/h11-13H,1-10H2;8H,6-7H2,1-5H3,(H,13,14)/t;8-/m.0/s1 |
| InChI Key | OVUNTIAFAXTNIX-WDBKTSHHSA-N |
| MDL Number | MFCD18782811 |
| Molecular Formula | C23H44N2O4S |
| Molecular Weight | 444.6715 |
| SMILES | C1CCC(CC1)NC1CCCCC1.CSCC[C@H](N(C(=O)OC(C)(C)C)C)C(=O)O |
| Synonyms | Boc-N-methyl-L-methionine dicyclohexyl ammonium salt,
91292-59-0,
MFCD18782811,
A-7905,
Boc-n-me-l-met-oh dcha,
|
| Complexity | 391 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 444.302g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 444.675g/mol |
| Monoisotopic Mass | 444.302g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number