| CAS Number | 200283-00-7 |
| Catalog Number | AG00BEVD(AGN-PC-0QR9RQ) |
| Chemical Name | Boc-Asp-Ochex DCHA |
| IUPAC Name | N-cyclohexylcyclohexanamine;(3S)-4-cyclohexyloxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid |
| InChI | InChI=1S/C15H25NO6.C12H23N/c1-15(2,3)22-14(20)16-11(9-12(17)18)13(19)21-10-7-5-4-6-8-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h10-11H,4-9H2,1-3H3,(H,16,20)(H,17,18);11-13H,1-10H2/t11-;/m0./s1 |
| InChI Key | GUAPOQKXUJIYAF-MERQFXBCSA-N |
| MDL Number | MFCD00076914 |
| Molecular Formula | C27H48N2O6 |
| Molecular Weight | 496.6798 |
| SMILES | C1CCC(CC1)NC1CCCCC1.OC(=O)C[C@@H](C(=O)OC1CCCCC1)NC(=O)OC(C)(C)C |
| Synonyms | BOC-ASP-OCHEX DCHA,
200283-00-7,
BOC-ASP-OCHEX . DCHA,
C15H25NO6.C12H23N,
6281AH,
MFCD00076914,
K-5854,
Boc-L-Aspartic acid alpha-cyclohexyl ester dicyclohexylammonium salt,
BOC-ASP-OCHEXDCHA,
|
| Complexity | 525 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 496.351g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 496.689g/mol |
| Monoisotopic Mass | 496.351g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number