基本情報
- CAS
183860-45-9- 標準SMILES
O=C(NCC1CC1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)NCC4CC4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1- InChIKey
VJCBVESGQNUVSA-WESAGZJESA-N- 分子式
- C43H48N4O5
- 平均分子量
- 700.9 g/mol
- 単同位体質量
- 700.36247064
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-(cyclopropylmethyl)-
- IUPAC
- N-(cyclopropylmethyl)-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(cyclopropylmethylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]benzamide
名称と別名
183860-45-9CHEMBL316445Benzamide, 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-(cyclopropylmethyl)-(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-(cyclopropylmethyl)benzamide)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-(cyclopropylmethyl)-DTXSID60171508BDBM50073087N-(cyclopropylmethyl)-3-[[(4R,5S,6S,7R)-4,7-dibenzyl-3-[[3-(cyclopropylmethylcarbamoyl)phenyl]methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]benzamide(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-(cyclopropylmethyl)benzamide]1N-cyclopropylmethyl-3-[4,7-dibenzyl-3-(3-cyclopropylmethylcarbamoylbenzyl)-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-(cyclopropylmethyl)benzamide]
物性
構造計算による物性
- XLogP
- 5.4
- 極性表面積
- 122 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 5
- 回転可能結合数
- 14
- 重原子数
- 52
- 形式電荷
- 0
- 複雑度
- 1,090
関連反応
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