基本情報
- CAS
153183-60-9- 標準SMILES
CONC(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NOC)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1- InChIKey
PNRNVSUAECQBDO-WZJLIZBTSA-N- 分子式
- C37H40N4O7
- 平均分子量
- 652.7 g/mol
- 単同位体質量
- 652.28969963
名称と識別子
- 優先名称
- Benzamide, 3,3'-(((4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N-methoxy-
- IUPAC
- 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[[3-(methoxycarbamoyl)phenyl]methyl]-2-oxo-1,3-diazepan-1-yl]methyl]-N-methoxybenzamide
名称と別名
153183-60-9CHEMBL313734Benzamide, 3,3'-(((4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N-methoxy-(4aalpha,5alpha,6beta,7beta)-3,3'-(Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethy)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene)bis(N-(methoxy)benzamide)DTXSID10165270BDBM50054177(4a.alpha.,5.alpha.,6.beta.,7.beta.)-3,3'-[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethy)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)bis[N-(methoxy)benzamide](4alpha,5alpha,6beta,7beta)-3,3''-[[Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis-methylene)]bis[N-(methyloxy)benzamide]1N-methoxy-3-[4,7-dibenzyl-3-(3-ethylcarbamoylbenzyl)-5,6-dihydroxy-2-oxo-(4R,5S,6S,7R)-1,3-diazepan-1-ylmethyl]benzamide3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis(N-methoxybenzamide)3-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-[[3-(methoxycarbamoyl)phenyl]methyl]-2-oxo-1,3-diazepan-1-yl]methyl]-N-methoxy-benzamideBenzamide, 3,3'-[[(4R,5S,6S,7R)-tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N-methoxy- (9CI)
物性
構造計算による物性
- XLogP
- 4
- 極性表面積
- 141 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 7
- 回転可能結合数
- 12
- 重原子数
- 48
- 形式電荷
- 0
- 複雑度
- 957
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