| CAS Number | 282525-01-3 |
| Catalog Number | AG01EKL9 |
| Chemical Name | 3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-4-phenylbutanoic acid |
| IUPAC Name | 3-benzyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid |
| InChI | InChI=1S/C26H25NO4/c28-25(29)15-19(14-18-8-2-1-3-9-18)16-27-26(30)31-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,19,24H,14-17H2,(H,27,30)(H,28,29) |
| InChI Key | VQUQFRAHYHSLAP-UHFFFAOYSA-N |
| MDL Number | MFCD02258136 |
| Molecular Formula | C26H25NO4 |
| Molecular Weight | 415.4810 |
| SMILES | OC(CC(CC1=CC=CC=C1)CNC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)=O |
| Synonyms | 3-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]-4-phenylbutanoic acid,
282525-01-3,
|
| Complexity | 580 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 415.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 415.489g/mol |
| Monoisotopic Mass | 415.178g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
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