| CAS Number | 70663-56-8 |
| Catalog Number | AG00FBV4(AGN-PC-0OGX9A) |
| Chemical Name | Boc-N-Me-P-Nitro-Phe-OH DCHA |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-nitrophenyl)propanoic acid |
| InChI | InChI=1S/C15H20N2O6.C12H23N/c1-15(2,3)23-14(20)16(4)12(13(18)19)9-10-5-7-11(8-6-10)17(21)22;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-8,12H,9H2,1-4H3,(H,18,19);11-13H,1-10H2/t12-;/m0./s1 |
| InChI Key | SMSNICCTSDFCSF-YDALLXLXSA-N |
| MDL Number | MFCD00038840 |
| Molecular Formula | C15H20N2O6 |
| Molecular Weight | 324.3291 |
| SMILES | CN([C@H](C(=O)O)Cc1ccc(cc1)[N+](=O)[O-])C(=O)OC(C)(C)C |
| Synonyms | BOC-N-ME-P-NITRO-PHE-OH DCHA,
70663-56-8,
6423AH,
KM1363,
MFCD00038840,
C15H20N2O6.C12H23N,
FT-0641309,
L-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-4-nitro-,
dicyclohexylamine (S)-2-(tert-butoxycarbonyl(methyl)amino)-3-(4-nitrophenyl)propanoate,
BOC-N-ME-P-NITRO-PHE-OHDCHA,
|
| Complexity | 562 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 505.315g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 505.656g/mol |
| Monoisotopic Mass | 505.315g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 125A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number