| CAS Number | 1379879-95-4 |
| Catalog Number | AG01EKFO |
| Chemical Name | 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(benzofuran-2-yl)propanoic acid |
| IUPAC Name | 3-(1-benzofuran-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C26H21NO5/c28-25(29)23(14-17-13-16-7-1-6-12-24(16)32-17)27-26(30)31-15-22-20-10-4-2-8-18(20)19-9-3-5-11-21(19)22/h1-13,22-23H,14-15H2,(H,27,30)(H,28,29) |
| InChI Key | MLDUOSGHPGZBDO-UHFFFAOYSA-N |
| MDL Number | MFCD09918208 |
| Molecular Formula | C26H21NO5 |
| Molecular Weight | 427.4486 |
| SMILES | OC(C(NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)CC1OC2=C(C=CC=C2)C=1)=O |
| Synonyms | 3-(1-benzofuran-2-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid,
1379879-95-4,
|
| Complexity | 661 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 427.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 427.456g/mol |
| Monoisotopic Mass | 427.142g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 88.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
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