(10S)-10-ethoxy-14-methoxy-N-methyl-10-oxo-20-(trifluoromethyl)-9-oxa-3,4,5,16,18,22,25,28-octaza-10lambda5-phosphapentacyclo[21.2.2.212,15.12,5.117,21]hentriaconta-1(25),2(31),3,12,14,17,19,21(28),23,26,29-undecaene-24-carboxamide;(10R)-10-ethoxy-14-methoxy-N-methyl-10-oxo-20-(trifluoromethyl)-9-oxa-3,4,5,16,18,22,25,28-octaza-10lambda5-phosphapentacyclo[21.2.2.212,15.12,5.117,21]hentriaconta-1(25),2(31),3,12,14,17,19,21(28),23,26,29-undecaene-24-carboxamide
基本情報
- 標準SMILES
CCO[P@@]1(=O)Cc2ccc(c(OC)c2)Nc2ncc(C(F)(F)F)c(n2)Nc2ccc(nc2C(=O)NC)-c2cn(nn2)CCCO1.CCO[P@]1(=O)Cc2ccc(c(OC)c2)Nc2ncc(C(F)(F)F)c(n2)Nc2ccc(nc2C(=O)NC)-c2cn(nn2)CCCO1- InChIKey
BXPLFVVMKKOPIT-ILLWONGVSA-N- 分子式
- C54H58F6N18O10P2
- 平均分子量
- 1,295.1 g/mol
名称と識別子
- 優先名称
- (10S)-10-ethoxy-14-methoxy-N-methyl-10-oxo-20-(trifluoromethyl)-9-oxa-3,4,5,16,18,22,25,28-octaza-10lambda5-phosphapentacyclo[21.2.2.212,15.12,5.117,21]hentriaconta-1(25),2(31),3,12,14,17,19,21(28),23,26,29-undecaene-24-carboxamide;(10R)-10-ethoxy-14-methoxy-N-methyl-10-oxo-20-(trifluoromethyl)-9-oxa-3,4,5,16,18,22,25,28-octaza-10lambda5-phosphapentacyclo[21.2.2.212,15.12,5.117,21]hentriaconta-1(25),2(31),3,12,14,17,19,21(28),23,26,29-undecaene-24-carboxamide
- IUPAC
- (10S)-10-ethoxy-14-methoxy-N-methyl-10-oxo-20-(trifluoromethyl)-9-oxa-3,4,5,16,18,22,25,28-octaza-10λ5-phosphapentacyclo[21.2.2.212,15.12,5.117,21]hentriaconta-1(25),2(31),3,12,14,17,19,21(28),23,26,29-undecaene-24-carboxamide;(10R)-10-ethoxy-14-methoxy-N-methyl-10-oxo-20-(trifluoromethyl)-9-oxa-3,4,5,16,18,22,25,28-octaza-10λ5-phosphapentacyclo[21.2.2.212,15.12,5.117,21]hentriaconta-1(25),2(31),3,12,14,17,19,21(28),23,26,29-undecaene-24-carboxamide
名称と別名
BXPLFVVMKKOPIT-ILLWONGVSA-N
データベース識別子
- PubChem CID
- 86697830
物性
構造計算による物性
- 極性表面積
- 335 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 30
- 回転可能結合数
- 8
- 重原子数
- 90
- 形式電荷
- 0
- 複雑度
- 1,030
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