化工社化工社 化学情報印刷レポート · 研究参考用
HCID 157441690作成日:2026年11月1日
(1R,14E,18R,22R,26S,29S)-26-tert-butyl-13,13-difluoro-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxylic acid;trans-(1R,2S)-1-aminochloranuidyl-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;trans-(1R,2R)-1-[2-[(1R,14E,18R,22R,26S,29S)-26-tert-butyl-13,13-difluoro-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaen-29-yl]-2-oxoethyl]-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide
https://huagongshe.com/ja/chemical/157441690
![(1R,14E,18R,22R,26S,29S)-26-tert-butyl-13,13-difluoro-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaene-29-carboxylic acid;trans-(1R,2S)-1-aminochloranuidyl-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide;trans-(1R,2R)-1-[2-[(1R,14E,18R,22R,26S,29S)-26-tert-butyl-13,13-difluoro-24,27-dioxo-2,17,23-trioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11,14-hexaen-29-yl]-2-oxoethyl]-2-(difluoromethyl)-N-(1-methylcyclopropyl)sulfonylcyclopropane-1-carboxamide の分子構造式](/img/chemical/157441690.png)
識別子と物理属性
| 分子式 | C77H95ClF8N11O19S2- |
|---|
| 平均分子量 | 1,730.2 g/mol |
|---|
| SMILES | CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C(F)F)CC(=O)[C@@H]3C[C@@H]4CN3C(=O)[C@@H](NC(=O)O[C@@H]5CCC[C@H]5OC/C=C/C(C6=NC7=CC=CC=C7N=C6O4)(F)F)C(C)(C)C.CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C(F)F)[Cl-]N.CC(C)(C)[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)O)OC3=NC4=CC=CC=C4N=C3C(/C=C/CO[C@@H]5CCC[C@H]5OC(=O)N1)(F)F |
|---|
| InChIKey | GCWKTOXBLPCIJU-LKQJZQLZSA-N |
|---|
| PubChem CID | 157441690 |
|---|
化学・物理的性質
| 極性表面積 | 429 |
|---|
| 水素結合供与体数 | 6 |
|---|
| 水素結合受容体数 | 33 |
|---|
| 回転可能結合数 | 15 |
|---|
| 重原子数 | 118 |
|---|
| 形式電荷 | -1 |
|---|
| 複雑度 | 3,280 |
|---|