| CAS Number | 10342-01-5 |
| Catalog Number | AG008XNO(AGN-PC-0OSDAE) |
| Chemical Name | Boc-Ser(Bzl)-OH dcha |
| EC Number | 233-741-5 |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoic acid |
| InChI | InChI=1S/C15H21NO5.C12H23N/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18);11-13H,1-10H2/t12-;/m0./s1 |
| InChI Key | QAAQPSNBIGNDII-YDALLXLXSA-N |
| MDL Number | MFCD00067670 |
| Molecular Formula | C27H44N2O5 |
| Molecular Weight | 476.6487 |
| SMILES | C1CCC(CC1)NC1CCCCC1.OC(=O)[C@@H](NC(=O)OC(C)(C)C)COCc1ccccc1 |
| Synonyms | BOC-SER(BZL)-OH DCHA,
10342-01-5,
O-Benzyl-N-(tert-butoxycarbonyl)-L-serine, compound with dicyclohexylamine (1:1),
EINECS 233-741-5,
DTXSID20145826,
6442AH,
MFCD00067670,
FT-0770611,
K-0368,
C-53770,
dicyclohexylamine (S)-3-(benzyloxy)-2-(tert-butoxycarbonylamino)propanoate,
Boc-Ser(Bzl)-OH.DCHA,
C15H21NO5.C12H23N,
C15-H21-N-O5.C12-H23-N,
O-benzyl-N-[tert-butoxycarbonyl]-L-serine, compound with dicyclohexylamine (1:1),
|
| Complexity | 461 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 476.325g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 476.658g/mol |
| Monoisotopic Mass | 476.325g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 96.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number