| CAS Number | 1263047-04-6 |
| Catalog Number | AG009C10(AGN-PC-0WBO6B) |
| Chemical Name | Trt-D-Dap(Fmoc)-OH |
| IUPAC Name | (2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-(tritylamino)propanoic acid |
| InChI | InChI=1S/C37H32N2O4/c40-35(41)34(24-38-36(42)43-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)39-37(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34,39H,24-25H2,(H,38,42)(H,40,41)/t34-/m1/s1 |
| InChI Key | SUDPKNWTNWZJPY-UUWRZZSWSA-N |
| MDL Number | MFCD03788168 |
| Molecular Formula | C37H32N2O4 |
| Molecular Weight | 568.6610 |
| SMILES | O=C(OCC1c2ccccc2-c2c1cccc2)NC[C@H](C(=O)O)NC(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Synonyms | Trt-D-Dap(Fmoc)-OH,
1263047-04-6,
(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-(tritylamino)propanoic acid,
C37H32N2O4,
7824AH,
MFCD03788168,
AKOS030214479,
ZINC100233632,
N-alpha-Trityl-N-beta-(9-Fluorenylmethyloxycarbonyl)-D-2,3-diaminopropionic acid,
|
| Complexity | 839 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 568.236g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 43 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 568.673g/mol |
| Monoisotopic Mass | 568.236g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number