基本情報
- CAS
173094-29-6- 標準SMILES
O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1cccnc1)OCc1cccnc1- InChIKey
BGHYHFHFLYFAEU-XGXWMDOZSA-N- 分子式
- C46H44N6O7
- 平均分子量
- 792.9 g/mol
- 単同位体質量
- 792.32714776
名称と識別子
- 優先名称
- 3-pyridylmethyl N-[2-[[(1S,2S,4S)-1-benzyl-2-hydroxy-5-phenyl-4-[[2-(3-pyridylmethoxycarbonylamino)benzoyl]amino]pentyl]carbamoyl]phenyl]carbamate
- IUPAC
- pyridin-3-ylmethyl N-[2-[[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-[[2-(pyridin-3-ylmethoxycarbonylamino)benzoyl]amino]hexan-2-yl]carbamoyl]phenyl]carbamate
名称と別名
173094-29-6CHEMBL315500Carbamic acid, ((2-hydroxy-1,4-bis(phenylmethyl)-1,4-butanediyl)bis(iminocarbonyl-2,1-phenylene))bis-, bis(3-pyridinylmethyl) ester, (1S-(1R*,2R*,4R*))-Carbamic acid, [[2-hydroxy-1,4-bis(phenylmethyl)-1,4-butanediyl]bis(iminocarbonyl-2,1-phenylene)]bis-, bis(3-pyridinylmethyl) ester, [1S-(1R*,2R*,4R*)]-DTXSID00938298BDBM502856983-pyridylmethyl N-[2-[[(1S,2S,4S)-1-benzyl-2-hydroxy-5-phenyl-4-[[2-(3-pyridylmethoxycarbonylamino)benzoyl]amino]pentyl]carbamoyl]phenyl]carbamateN,N'-(3-Hydroxy-1,6-diphenylhexane-2,5-diyl)bis[2-({hydroxy[(pyridin-3-yl)methoxy]methylidene}amino)benzene-1-carboximidic acid]N,N'-[(2S,3S,5S)-3-Hydroxy-1,6-diphenylhexane-2,5-diyl]bis[2-({hydroxy[(pyridin-3-yl)methoxy]methylidene}amino)benzene-1-carboximidic acid]
データベース識別子
- CAS
173094-29-6- PubChem CID
- 468438
- DTXSID
DTXSID00938298- ChEMBL
CHEMBL315500
物性
構造計算による物性
- XLogP
- 7.1
- 極性表面積
- 181 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 9
- 回転可能結合数
- 19
- 重原子数
- 59
- 形式電荷
- 0
- 複雑度
- 1,290
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…