基本情報
- 標準SMILES
C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O- InChIKey
JNGZXGGOCLZBFB-YPHZTSLFSA-N- 分子式
- C27H24F2N4O3
- 平均分子量
- 490.5 g/mol
名称と識別子
- 優先名称
- 3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
- IUPAC
- (2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide
名称と別名
CHEMBL117056?-Secretase Inhibitor BZ?-Secretase Inhibitor XXISCHEMBL453583JNGZXGGOCLZBFB-YPHZTSLFSA-NBDBM50223739(S)-2-[2-(3,5-Difluoro-phenyl)-acetylamino]-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-propionamide3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1-H-1,4-benzodiazepin-2-one3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5-phenyl-1H-1,4benzodiazepin-2-one3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5phenyl-1H-1,4-benzodiazepin-2-one3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2,3-dihydro-1-methyl-5phenyl-1H-1,4benzodiazepin-2-one
名称をさらに表示
3-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino2,3-dihydro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
データベース識別子
- PubChem CID
- 22984074
- ChEMBL
CHEMBL117056
物性
構造計算による物性
- XLogP
- 3.6
- 極性表面積
- 90.9 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 6
- 回転可能結合数
- 6
- 重原子数
- 36
- 形式電荷
- 0
- 複雑度
- 837
関連反応
11 件
化合物ノート
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