3-[N'-(3,5-Difluorophenyl-a-hydroxyacetyl)-L-alaninyl]amino-2,4-dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
基本情報
- 標準SMILES
C[C@H](NC(=O)C(O)c1cc(F)cc(F)c1)C(=O)NC1C(=O)N(C)c2ccccc2N(C)C1=O- InChIKey
NLPJKLWWSVFYKO-FAQQKDIKSA-N- 分子式
- C22H22F2N4O5
- 平均分子量
- 460.4 g/mol
名称と識別子
- 優先名称
- 3-[N'-(3,5-Difluorophenyl-a-hydroxyacetyl)-L-alaninyl]amino-2,4-dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
- IUPAC
- (2S)-2-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-(1,5-dimethyl-2,4-dioxo-1,5-benzodiazepin-3-yl)propanamide
名称と別名
SCHEMBL4419147NLPJKLWWSVFYKO-FAQQKDIKSA-N3-[N'-(3,5-Difluorophenyl-a-hydroxyacetyl)-L-alaninyl]amino-2,4-dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine3-[N'-(3,5-Difluorophenyl-alpha-hydroxyacetyl)-L-alaninyl]amino- 2,4-dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine3-[N'-(3,5-Difluorophenyl-alpha-hydroxyacetyl)-L-alaninyl]amino-2,4-dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine3-[N'-(3,5-Difluorophenyl-alpha-hydroxyacetyl)-L-alaninyl]amino-2,4dioxo-1,5-bis-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
データベース識別子
- PubChem CID
- 22984128
物性
構造計算による物性
- XLogP
- 1
- 極性表面積
- 119 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 7
- 回転可能結合数
- 5
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 744
関連反応
11 件
化合物ノート
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