基本情報
- CAS
169438-16-8- 標準SMILES
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccc(Br)cc1)C(C)C- InChIKey
NDDOZLXOQJVCBT-NREVGYPESA-N- 分子式
- C43H52BrN5O6
- 平均分子量
- 814.8 g/mol
- 単同位体質量
- 813.3101
名称と識別子
- 優先名称
- L-Lyxonamide, N-(1-((((4-bromophenyl)methyl)amino)carbonyl)-2-methylpropyl)-2,4,5-trideoxy-4-((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-5-phenyl-2-((phenylmethyl)amino)-, (1(S),4(S))-
- IUPAC
- benzyl N-[(2S)-1-[[(2S,3R,4R)-4-(benzylamino)-5-[[(2S)-1-[(4-bromophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
名称と別名
SDZ 282714169438-16-8CHEMBL147562L-Lyxonamide, N-(1-((((4-bromophenyl)methyl)amino)carbonyl)-2-methylpropyl)-2,4,5-trideoxy-4-((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-5-phenyl-2-((phenylmethyl)amino)-, (1(S),4(S))-(2R,3S,4S)-N-(4-((N-((Benzyloxy)carbonyl)valyl)amino)-3-hydroxy-2-(4-methoxy-benzylamino-5-phenylpentanoyl)valine 4-bromobenzylamide(2R,3S,4S)-N-[4-[[N-[(Benzyloxy)carbonyl]valyl]amino]-3-hydroxy-2-(4-methoxy-benzylamino-5-phenylpentanoyl]valine 4-bromobenzylamideL-Lyxonamide, N-[1-[[[(4-bromophenyl)methyl]amino]carbonyl]-2-methylpropyl]-2,4,5-trideoxy-4-[[3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-5-phenyl-2-[(phenylmethyl)amino]-, [1(S),4(S)]-DTXSID80168713BDBM50407684Benzyl [(2S)-1-{[(2S,3R,4R)-4-(benzylamino)-5-{[(2S)-1-{[(4-bromophenyl)methyl]amino}-3-methyl-1-oxobutan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamatebenzyl N-[(1S)-1-[[(1S,2R,3R)-1-benzyl-3-(benzylamino)-4-[[(1S)-1-[(4-bromophenyl)methylcarbamoyl]-2-methyl-propyl]amino]-2-hydroxy-4-oxo-butyl]carbamoyl]-2-methyl-propyl]carbamate
物性
構造計算による物性
- XLogP
- 6.9
- 極性表面積
- 158 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 7
- 回転可能結合数
- 20
- 重原子数
- 55
- 形式電荷
- 0
- 複雑度
- 1,160
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