| CAS Number | 282525-06-8 |
| Catalog Number | AG01EKVB |
| Chemical Name | 3-cyclohexyl-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid |
| IUPAC Name | 3-cyclohexyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid |
| InChI | InChI=1S/C25H29NO4/c27-24(28)14-18(17-8-2-1-3-9-17)15-26-25(29)30-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h4-7,10-13,17-18,23H,1-3,8-9,14-16H2,(H,26,29)(H,27,28) |
| InChI Key | RCMIREQGPGLFQT-UHFFFAOYSA-N |
| MDL Number | MFCD02258142 |
| Molecular Formula | C25H29NO4 |
| Molecular Weight | 407.5021 |
| SMILES | OC(CC(C1CCCCC1)CNC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)=O |
| Synonyms | 3-cyclohexyl-4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid,
282525-06-8,
|
| Complexity | 566 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 407.21g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 407.51g/mol |
| Monoisotopic Mass | 407.21g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
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