基本情報
- 標準SMILES
Cc1cccc(C)c1OCC(=O)NC(Cc1ccccc1)C(O)CC(Cc1ccccc1)NC(=O)C(C(C)C)N1CCCNC1=O- InChIKey
KJHKTHWMRKYKJE-UHFFFAOYSA-N- 分子式
- C37H48N4O5
- 平均分子量
- 628.8 g/mol
名称と識別子
- 優先名称
- N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
- IUPAC
- N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
名称と別名
N-[5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamideC37H48N4O51217628-64-2(2R,4S,5S)-LopinavirLopinavir (ABT-378)SCHEMBL8171504HMS3654D21HMS5079F17(2s)-n-[(2s,4s,5s)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenyl-hexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamideXCC62554NSC740137s1380
名称をさらに表示
AKOS032960319NSC-740137NCGC00389393-01CID 71749833LS-15397(S)-N-((2R,4S,5S)-5-(2-(2,6-DIMETHYLPHENOXY)ACETAMIDO)-4-HYDROXY-1,6-DIPHENYL-HEXN-2-YL)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANAMIDE2649902-54-3N-(5-(2-(2,6-Dimethylphenoxy)acetamido)-4-hydroxy-1,6-diphenylhexan-2-yl)-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide
データベース識別子
- PubChem CID
- 3817
物性
構造計算による物性
- XLogP
- 5.9
- 極性表面積
- 120 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 5
- 回転可能結合数
- 15
- 重原子数
- 46
- 形式電荷
- 0
- 複雑度
- 940
実験および物理化学的性質
DrugsPharmaceuticals
関連反応
1 件
化合物ノート
読み込み中…