1-{2-[{6-[{4-[{3-[({[(2S)-1'-{2-[(5R)-3-[3,5-Bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl}-2,3-dihydrospiro[indene-1,4'-piperidin]-2-yl]oxy}acetyl)(methy)amino]propyl}(methyl)carbamoyl]benzyl}(methyl)amino]hexanoyl}(methyl)amino]ethyl}piperidin-4-yl biphenyl-2-ylcarbamate
基本情報
- 標準SMILES
CN(CCCCCC(=O)N(C)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)Cc1ccc(C(=O)N(C)CCCN(C)C(=O)CO[C@H]2Cc3ccccc3C23CCN(CC[C@@]2(c4ccc(F)cc4)CN(C(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CO2)CC3)cc1- InChIKey
GZASPRKDMWECFK-UPYPOHCKSA-N- 分子式
- C76H89F7N8O8
- 平均分子量
- 1,375.6 g/mol
- 単同位体質量
- 1,374.66915896
名称と識別子
- 優先名称
- 1-{2-[{6-[{4-[{3-[({[(2S)-1'-{2-[(5R)-3-[3,5-Bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl}-2,3-dihydrospiro[indene-1,4'-piperidin]-2-yl]oxy}acetyl)(methy)amino]propyl}(methyl)carbamoyl]benzyl}(methyl)amino]hexanoyl}(methyl)amino]ethyl}piperidin-4-yl biphenyl-2-ylcarbamate
- IUPAC
- [1-[2-[6-[[4-[3-[[2-[(2S)-1'-[2-[(5R)-3-[3,5-bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-yl]oxyacetyl]-methylamino]propyl-methylcarbamoyl]phenyl]methyl-methylamino]hexanoyl-methylamino]ethyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
名称と別名
1-{2-[{6-[{4-[{3-[({[(2S)-1'-{2-[(5R)-3-[3,5-Bis(trifluoromethyl)benzoyl]-5-(4-fluorophenyl)-1,3-oxazolidin-5-yl]ethyl}-2,3-dihydrospiro[indene-1,4'-piperidin]-2-yl]oxy}acetyl)(methy)amino]propyl}(methyl)carbamoyl]benzyl}(methyl)amino]hexanoyl}(methyl)amino]ethyl}piperidin-4-yl biphenyl-2-ylcarbamateSCHEMBL381213
データベース識別子
- PubChem CID
- 46928638
物性
構造計算による物性
- XLogP
- 11.8
- 極性表面積
- 148 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 18
- 回転可能結合数
- 28
- 重原子数
- 99
- 形式電荷
- 0
- 複雑度
- 2,530
関連反応
1 件
化合物ノート
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