N-[1-[[1-[[5-[(3-bromo-4-hydroxyphenyl)methyl]-21-hydroxy-2-(1-hydroxyethyl)-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-2-(2,3-dihydroxypropanoylamino)-5-(4-hydroxyphenyl)pentanamide
基本情報
- 標準SMILES
CC(C)CC1N=C(O)C(N=C(O)C(N=C(O)C(C)N=C(O)C(CCCc2ccc(O)cc2)N=C(O)C(O)CO)C(C)C)C(C)OC(=O)C(C(C)C)N=C(O)C(Cc2ccc(O)c(Br)c2)N(C)C(=O)C(C(C)O)N2C(=O)C(CCC2O)N=C1O- InChIKey
VIXXINFROOFGPE-UHFFFAOYSA-N- 分子式
- C56H82BrN9O17
- 平均分子量
- 1,233.2 g/mol
- 単同位体質量
- 1,231.50120426
名称と識別子
- 優先名称
- N-[1-[[1-[[5-[(3-bromo-4-hydroxyphenyl)methyl]-21-hydroxy-2-(1-hydroxyethyl)-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-2-(2,3-dihydroxypropanoylamino)-5-(4-hydroxyphenyl)pentanamide
- IUPAC
- N-[1-[[1-[[5-[(3-bromo-4-hydroxyphenyl)methyl]-21-hydroxy-2-(1-hydroxyethyl)-4,11-dimethyl-15-(2-methylpropyl)-3,6,9,13,16,22-hexaoxo-8-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-2-(2,3-dihydroxypropanoylamino)-5-(4-hydroxyphenyl)pentanamide
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 392 Ų
- 水素結合供与体数
- 13
- 水素結合受容体数
- 17
- 回転可能結合数
- 20
- 重原子数
- 83
- 形式電荷
- 0
- 複雑度
- 2,260
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…