| CAS Number | 338972-24-0 |
| Catalog Number | AG00JKI5(AGN-PC-0WBOKN) |
| Chemical Name | (2R,3R)-(Fmoc-amino)-3-(Boc-amino)butyric acid |
| IUPAC Name | (2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid |
| InChI | InChI=1S/C24H28N2O6/c1-14(25-23(30)32-24(2,3)4)20(21(27)28)26-22(29)31-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,14,19-20H,13H2,1-4H3,(H,25,30)(H,26,29)(H,27,28)/t14-,20-/m1/s1 |
| InChI Key | IETIWIXNTKKVMT-JLTOFOAXSA-N |
| MDL Number | MFCD22989430 |
| Molecular Formula | C24H28N2O6 |
| Molecular Weight | 440.4889 |
| SMILES | CC(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)OC(C)(C)C |
| Synonyms | (2R,3R)-(Fmoc-amino)-3-(boc-amino)butyric acid,
338972-24-0,
MFCD22989430,
(2R,3R)-Fmoc-Abu(3-Boc-Amino),
AKOS030212539,
ZINC169722874,
1932033-81-2,
|
| Complexity | 669 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 440.195g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 440.496g/mol |
| Monoisotopic Mass | 440.195g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number