| CAS Number | 160253-13-4 |
| Catalog Number | AG001RT5(AGN-PC-0Q7UDU) |
| Chemical Name | (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-((diethoxyphosphoryl)methyl)phenyl)propanoic acid |
| IUPAC Name | (2S)-3-[4-(diethoxyphosphorylmethyl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C29H32NO7P/c1-3-36-38(34,37-4-2)19-21-15-13-20(14-16-21)17-27(28(31)32)30-29(33)35-18-26-24-11-7-5-9-22(24)23-10-6-8-12-25(23)26/h5-16,26-27H,3-4,17-19H2,1-2H3,(H,30,33)(H,31,32)/t27-/m0/s1 |
| InChI Key | CCLWUICKUOJJQS-MHZLTWQESA-N |
| MDL Number | MFCD00273471 |
| Molecular Formula | C29H32NO7P |
| Molecular Weight | 537.5406 |
| SMILES | O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=C(CP(OCC)(OCC)=O)C=C4 |
| Synonyms | 160253-13-4,
Fmoc-4-diethylphosphomethyl-L-phenylalanine,
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-((diethoxyphosphoryl)methyl)phenyl)propanoic acid,
SCHEMBL2920917,
Fmoc-Phe(p-CH2PO3Et2)-OH,
CTK8E8181,
DTXSID30589232,
CCLWUICKUOJJQS-MHZLTWQESA-N,
ZINC100055225,
AX8224851,
RT-012896,
J-009702,
4-[(Diethoxyphosphoryl)methyl]-N-{[(9H-fluoren-9-yl)methoxy]carbonyl}-L-phenylalanine,
L-Phenylalanine, 4-[(diethoxyphosphinyl)methyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-,
(2s)-3-[4-(diethoxyphosphorylmethyl)phenyl]-2-(9h-fluoren-9-,
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| Complexity | 798 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 537.192g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 537.549g/mol |
| Monoisotopic Mass | 537.192g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
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Certificate of Analysis
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