| CAS Number | 1310680-19-3 |
| Catalog Number | AG00HSCG(AGN-PC-0WR0II) |
| Chemical Name | (R,S)-Fmoc-2-amino-3-methyl-3-phenyl-butyric acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methyl-3-phenylbutanoic acid |
| InChI | InChI=1S/C26H25NO4/c1-26(2,17-10-4-3-5-11-17)23(24(28)29)27-25(30)31-16-22-20-14-8-6-12-18(20)19-13-7-9-15-21(19)22/h3-15,22-23H,16H2,1-2H3,(H,27,30)(H,28,29) |
| InChI Key | UVRGBXSOQUZHII-UHFFFAOYSA-N |
| MDL Number | MFCD18782839 |
| Molecular Formula | C26H25NO4 |
| Molecular Weight | 415.4810 |
| SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)C(C=4C=CC=CC4)(C)C |
| Synonyms | (R,S)-Fmoc-2-amino-3-methyl-3-phenyl-butyric acid,
1310680-19-3,
Fmoc-beta,beta-diMe-Phe-OH (rac),
MFCD18782839,
|
| Complexity | 619 |
| 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 | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
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Certificate of Analysis
Lot Number