| CAS Number | 53267-94-0 |
| Catalog Number | AG00DFSJ(AGN-PC-0SESY8) |
| Chemical Name | Boc-4-methoxy-DL-phenylalanine dicyclohexylammonium salt |
| IUPAC Name | N-cyclohexylcyclohexanamine;3-(4-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI | InChI=1S/C15H21NO5.C12H23N/c1-15(2,3)21-14(19)16-12(13(17)18)9-10-5-7-11(20-4)8-6-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18);11-13H,1-10H2 |
| InChI Key | QUKLMYRLRRACCN-UHFFFAOYSA-N |
| MDL Number | MFCD00190815 |
| Molecular Formula | C27H44N2O5 |
| Molecular Weight | 476.6487 |
| SMILES | C1CCC(CC1)NC1CCCCC1.COc1ccc(cc1)CC(C(=O)O)NC(=O)OC(C)(C)C |
| Synonyms | 53267-94-0,
BOC-4-METHOXY-DL-PHENYLALANINE DICYCLOHEXYLAMMONIUM SALT,
Dicyclohexylamine (S)-2-((tert-butoxycarbonyl)amino)-3-(4-methoxyphenyl)propanoate,
6254AH,
MFCD01632046,
K-9659,
C15H21NO5.C12H23N,
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| Complexity | 472 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 9 |
| Topological Polar Surface Area | 96.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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