| CAS Number | 1380327-51-4 |
| Catalog Number | AG01BXJO |
| Chemical Name | 1-[(tert-butoxy)carbonyl]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)azetidine-3-carboxylic acid |
| IUPAC Name | 3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid |
| InChI | InChI=1S/C24H26N2O6/c1-23(2,3)32-22(30)26-13-24(14-26,20(27)28)25-21(29)31-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19H,12-14H2,1-3H3,(H,25,29)(H,27,28) |
| InChI Key | SOWFLOZLSQWFTE-UHFFFAOYSA-N |
| MDL Number | MFCD22397648 |
| Molecular Formula | C24H26N2O6 |
| Molecular Weight | 438.4730 |
| SMILES | CC(C)(C)OC(=O)N1CC(C1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
| Synonyms | 1380327-51-4,
1-[(tert-butoxy)carbonyl]-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)azetidine-3-carboxylic acid,
1-Boc-3-(Fmoc-amino)-3-azetidinecarboxylic acid,
SCHEMBL9281160,
SOWFLOZLSQWFTE-UHFFFAOYSA-N,
ZINC149331254,
1-[(tert-butoxy)carbonyl]-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}azetidine-3-carboxylic acid,
3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-1-(tert-butoxycarbonyl)azetidine-3-carboxylic acid,
3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-1-(tert-butoxycarbonyl)azetidine-3-carboxylic acid,
|
| Complexity | 719 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 438.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 32 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 438.48g/mol |
| Monoisotopic Mass | 438.179g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number