基本情報
- CAS
169438-17-9- 標準SMILES
COc1ccc(CN[C@@H](C(=O)N[C@H](C(=O)NCCc2ccc(O)cc2)C(C)C)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)cc1- InChIKey
TXRFRGPNUHBBQX-ILMLRKPHSA-N- 分子式
- C45H57N5O8
- 平均分子量
- 796 g/mol
- 単同位体質量
- 795.42071379
名称と識別子
- 優先名称
- L-Lyxonamide, 2,4,5-trideoxy-N-(1-(((2-(4-hydroxyphenyl)ethyl)amino)carbonyl)-2-methylpropyl)-2-(((4-methoxyphenyl)methyl)amino)-4-((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-5-phenyl-, (1(S),4(S))-
- IUPAC
- benzyl N-[(2S)-1-[[(2S,3R,4R)-3-hydroxy-5-[[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
名称と別名
SDZ 282916169438-17-9CHEMBL147205L-Lyxonamide, 2,4,5-trideoxy-N-(1-(((2-(4-hydroxyphenyl)ethyl)amino)carbonyl)-2-methylpropyl)-2-(((4-methoxyphenyl)methyl)amino)-4-((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-5-phenyl-, (1(S),4(S))-(2R,3S,4S)-N-(4-((N-((Benzyloxy)carbonyl)valyl)amino)-3-hydroxy-2-(4-methoxybenzylamino)-5-phenylpentanoyl)valine 2-(4-hydroxyphenyl)ethylamide(2R,3S,4S)-N-[4-[[N-[(Benzyloxy)carbonyl]valyl]amino]-3-hydroxy-2-(4-methoxybenzylamino)-5-phenylpentanoyl]valine 2-(4-hydroxyphenyl)ethylamideL-Lyxonamide, 2,4,5-trideoxy-N-[1-[[[2-(4-hydroxyphenyl)ethyl]amino]carbonyl]-2-methylpropyl]-2-[[(4-methoxyphenyl)methyl]amino]-4-[[3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-5-phenyl-, [1(S),4(S)]-DTXSID40168714BDBM50407662Benzyl [(2S)-1-{[(2S,3R,4R)-3-hydroxy-5-{[(2S)-1-{[2-(4-hydroxyphenyl)ethyl]amino}-3-methyl-1-oxobutan-2-yl]amino}-4-{[(4-methoxyphenyl)methyl]amino}-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamatebenzyl N-[(1S)-1-[[(1S,2R,3R)-1-benzyl-2-hydroxy-4-[[(1S)-1-[2-(4-hydroxyphenyl)ethylcarbamoyl]-2-methyl-propyl]amino]-3-[(4-methoxyphenyl)methylamino]-4-oxo-butyl]carbamoyl]-2-methyl-propyl]carbamate
物性
構造計算による物性
- XLogP
- 6.3
- 極性表面積
- 187 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 9
- 回転可能結合数
- 22
- 重原子数
- 58
- 形式電荷
- 0
- 複雑度
- 1,230
関連反応
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