| CAS Number | 1821774-68-8 |
| Catalog Number | AG01EKH0 |
| Chemical Name | (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-phenoxybutanoic acid |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenoxybutanoic acid |
| InChI | InChI=1S/C25H23NO5/c27-24(28)23(14-15-30-17-8-2-1-3-9-17)26-25(29)31-16-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,26,29)(H,27,28)/t23-/m0/s1 |
| InChI Key | DFSBFNQOGULCOD-QHCPKHFHSA-N |
| MDL Number | MFCD09751113 |
| Molecular Formula | C25H23NO5 |
| Molecular Weight | 417.4538 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@@H](CCOC1=CC=CC=C1)C(=O)O |
| Synonyms | AKOS034814930,
(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-phenoxybutanoic acid,
1821774-68-8,
|
| Complexity | 583 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 417.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 417.461g/mol |
| Monoisotopic Mass | 417.158g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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