| CAS Number | 123417-19-6 |
| Catalog Number | AG009GRB(AGN-PC-0PHGWR) |
| Chemical Name | BOC-D-ASP(OFM)-OH |
| IUPAC Name | (2R)-4-(9H-fluoren-9-ylmethoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid |
| InChI | InChI=1S/C23H25NO6/c1-23(2,3)30-22(28)24-19(21(26)27)12-20(25)29-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,26,27)/t19-/m1/s1 |
| InChI Key | NHLRMCFWGFPSLT-LJQANCHMSA-N |
| MDL Number | MFCD00151867 |
| Molecular Formula | C23H25NO6 |
| Molecular Weight | 411.4477 |
| SMILES | CC(C)(C)OC(=O)N[C@H](CC(=O)OCC1c2ccccc2-c3c1cccc3)C(=O)O |
| Synonyms | Boc-D-Asp(Ofm)-OH,
123417-19-6,
ZINC2517110,
6314AH,
MFCD00151867,
I14-32676,
(R)-4-((9H-fluoren-9-yl)methoxy)-2-(tert-butoxycarbonylamino)-4-oxobutanoic acid,
D-Aspartic acid,N-[(1,1-dimethylethoxy)carbonyl]-,4-(9H-fluoren-9-ylmethyl)ester,
C23H25NO6,
CID7015791,
N-alpha-tert-Butyloxycarbonyl-aspartic acid gamma-fluorenylmethyl ester,
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| Complexity | 620 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 411.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 411.454g/mol |
| Monoisotopic Mass | 411.168g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number