di-tert-butyl2,2'-(((((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(5-fluoro-2-nitro-4,1-phenylene))bis(azanediyl))bis(carbonyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate) (CAS 1890114-10-9) — formula C53H59F5N8O10, molecular weight 1063.1; category organic chemicals.
| CAS Number | 1890114-10-9 |
|---|---|
| Molecular Formula | C53H59F5N8O10 |
| Molecular Weight | 1063.1 |
| LogP | 10.4 |
| Category | Organic Chemicals |
di-tert-butyl2,2'-(((((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(5-fluoro-2-nitro-4,1-phenylene))bis(azanediyl))bis(carbonyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate) is a carbon-based organic compound with CAS registry number 1890114-10-9 and molecular formula C53H59F5N8O10 (molecular weight 1063.1), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1890114-10-9
Its molecular formula C53H59F5N8O10 comprises 53 C, 59 H, 5 F, 8 N, 10 O atoms.
Also known as: di-tert-butyl2,2'-(((((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(5-fluoro-2-nitro-4,1-phenylene))bis(azanediyl))bis(carbonyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate) · 二叔丁基2,2'-(((((2R,5R)-1-(3,5-二氟-4-(4-(4-氟苯基)哌啶-1-基)苯基)吡咯烷-2,5-二)基)双(5-氟-2-硝基-4,1-亚苯基))双(氮杂二基))双(羰基))(2S,2'S)-双(吡咯烷-1-羧酸酯)
Category: organic chemicals
The CAS registry number of di-tert-butyl2,2'-(((((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(5-fluoro-2-nitro-4,1-phenylene))bis(azanediyl))bis(carbonyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate) is 1890114-10-9.
Molecular formula C53H59F5N8O10, molecular weight 1063.1.
It is also registered under: di-tert-butyl2,2'-(((((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(5-fluoro-2-nitro-4,1-phenylene))bis(azanediyl))bis(carbonyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate), 二叔丁基2,2'-(((((2R,5R)-1-(3,5-二氟-4-(4-(4-氟苯基)哌啶-1-基)苯基)吡咯烷-2,5-二)基)双(5-氟-2-硝基-4,1-亚苯基))双(氮杂二基))双(羰基))(2S,2'S)-双(吡咯烷-1-羧酸酯).
Category: Organic Chemicals.
Independent reference data for di-tert-butyl2,2'-(((((2R,5R)-1-(3,5-difluoro-4-(4-(4-fluorophenyl)piperidin-1-yl)phenyl)pyrrolidine-2,5-diyl)bis(5-fluoro-2-nitro-4,1-phenylene))bis(azanediyl))bis(carbonyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate) (CAS 1890114-10-9), compiled from public chemistry databases.
| CAS 号 | 1890114-10-9 |
|---|---|
| PubChem CID | 162450336 |
| 分子式 | C53H59F5N8O10 |
| IUPAC 名称 | tert-butyl (2S)-2-[[4-[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]-5-[2-fluoro-4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]-5-nitrophenyl]pyrrolidin-2-yl]-5-fluoro-2-nitrophenyl]carbamoyl]pyrrolidine-1-carboxylate |
| Molecular Weight | 1063.1 |
|---|---|
| XLogP3 | 10.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 13 |
| Exact Mass | 1062.42743092 |
| Monoisotopic Mass | 1062.42743092 |
| Topological Polar Surface Area | 215 |
| Heavy Atom Count | 76 |
1890114-10-9; RefChem:235221; DTXSID701098120
| GHS 通报统计 | 100% (2 / 2) |
|---|
| GHS 通报统计 | 100% (2 / 2) |
|---|
二叔丁基2,2'-(((((2R,5R)-1-(3,5-二氟-4-(4-(4-氟苯基)哌啶-1-基)苯基)吡咯烷-2,5-二)基)双(5-氟-2-硝基-4,1-亚苯基))双(氮杂二基))双(羰基))(2S,2'S)-双(吡咯烷-1-羧酸酯) · CAS 1890114-10-9 · C53H59F5N8O10.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.