| CAS Number | 250611-06-4 |
| Catalog Number | AG01FDNJ(AGN-PC-0R0SGE) |
| Chemical Name | Boc-P-Carboxy-Phe(Otbu)-OH DCHA |
| IUPAC Name | N-cyclohexylcyclohexanamine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]propanoic acid |
| InChI | InChI=1S/C19H27NO6.C12H23N/c1-18(2,3)25-16(23)13-9-7-12(8-10-13)11-14(15(21)22)20-17(24)26-19(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h7-10,14H,11H2,1-6H3,(H,20,24)(H,21,22);11-13H,1-10H2/t14-;/m0./s1 |
| InChI Key | LSQSODNJBBMPEG-UQKRIMTDSA-N |
| MDL Number | MFCD02259471 |
| Molecular Formula | C31H50N2O6 |
| Molecular Weight | 546.7385 |
| SMILES | C1CCC(CC1)NC1CCCCC1.O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(cc1)C(=O)OC(C)(C)C |
| Synonyms | Boc-P-Carboxy-Phe(Otbu)-OH DCHA,
214750-69-3,
250611-06-4,
C19H27NO6.C12H23N,
6429AH,
MFCD02259471,
ACM214750693,
Boc-?P-?Carboxy-?Phe(Otbu)?-?OH DCHA,
L-Phenylalanine,N,4-bis[(1,1-dimethylethoxy)carbonyl]-,
(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-{4-[(tert-butoxy)carbonyl]phenyl}propanoic acid; dicyclohexylamine,
BOC-P-CARBOXY-PHE -OHDCHA,
|
| Complexity | 625 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 546.367g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 546.749g/mol |
| Monoisotopic Mass | 546.367g/mol |
| Rotatable Bond Count | 11 |
| 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