Carbamic acid, (4-((2,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))-
基本情報
- CAS
181038-47-1- 標準SMILES
COc1ccc(C[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)C(C)C)c(OC)c1- InChIKey
LYYFXNGWNVHQBO-ZMTKFLJGSA-N- 分子式
- C44H60N4O9
- 平均分子量
- 789 g/mol
- 単同位体質量
- 788.4360295
名称と識別子
- 優先名称
- Carbamic acid, (4-((2,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))-
- IUPAC
- tert-butyl N-[(2S,3S,5R)-5-[(2,4-dimethoxyphenyl)methyl]-3-hydroxy-6-[[(2S)-3-methyl-1-[[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
名称と別名
181038-47-1Carbamic acid, (4-((2,4-dimethoxyphenyl)methyl)-2-hydroxy-5-((2-methyl-1-(((2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl)amino)carbonyl)propyl)amino)-5-oxo-1-(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*(R*))))-Carbamic acid, [4-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-5-[[2-methyl-1-[[[2-(4-morpholinyl)-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]propyl]amino]-5-oxo-1-(phenylmethyl)pentyl]-, 1,1-dimethylethyl ester, [1S-[1R*,2R*,4S*,5[R*(R*)]]]-DTXSID60939403(2R,4S,5S)-5-{[tert-Butoxy(hydroxy)methylidene]amino}-2-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methyl-1-{[(2S)-1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]imino}butan-2-yl]-6-phenylhexanimidic acid5-{[tert-Butoxy(hydroxy)methylidene]amino}-2-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-N-(1-hydroxy-3-methyl-1-{[1-(morpholin-4-yl)-1-oxo-3-phenylpropan-2-yl]imino}butan-2-yl)-6-phenylhexanimidic acidtert-butyl n-[(1s,2s,4r)-1-benzyl-5-[[(1s)-1-[[(1s)-1-benzyl-2-morpholino-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-5-oxo-pentyl]carbamate
物性
構造計算による物性
- XLogP
- 5.7
- 極性表面積
- 165 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 9
- 回転可能結合数
- 20
- 重原子数
- 57
- 形式電荷
- 0
- 複雑度
- 1,240
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