基本情報
- CAS
152928-66-0- 標準SMILES
CN(C)C(=O)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)N(C)C)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1- InChIKey
UERFODOOUFFMRK-NWJWHWDBSA-N- 分子式
- C39H44N4O5
- 平均分子量
- 648.8 g/mol
- 単同位体質量
- 648.33117052
名称と識別子
- 優先名称
- Benzamide, 3,3'-((tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N,N-dimethyl-, (4R-(4alpha,5alpha,6beta,7beta))-
- IUPAC
- 3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]-N,N-dimethylbenzamide
名称と別名
152928-66-0Benzamide, 3,3'-((tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)bis(methylene))bis(N,N-dimethyl-, (4R-(4alpha,5alpha,6beta,7beta))-(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,N'-dimethylbenzamide)DTXSID60165164(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,N'-dimethylbenzamide]3,3'-{[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-2-oxo-1,3-diazepane-1,3-diyl]bis(methylene)}bis(N,N-dimethylbenzamide)3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(dimethylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]-N,N-dimethyl-benzamideBenzamide, 3,3'-[[tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl]bis(methylene)]bis[N,N-dimethyl-, [4R-(4.alpha.,5.alpha.,6.beta.,7.beta.)]-
データベース識別子
- CAS
152928-66-0- PubChem CID
- 464314
- DTXSID
物性
構造計算による物性
- XLogP
- 4.2
- 極性表面積
- 105 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 5
- 回転可能結合数
- 10
- 重原子数
- 48
- 形式電荷
- 0
- 複雑度
- 977
関連反応
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