基本情報
- CAS
169438-15-7- 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)NCc1cccnc1)C(C)C- InChIKey
LQASYEQHOVVPDN-LOFFRUMASA-N- 分子式
- C42H52N6O6
- 平均分子量
- 736.9 g/mol
- 単同位体質量
- 736.3948334
名称と識別子
- 優先名称
- L-Lyxonamide, 2,4,5-trideoxy-4-((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-N-(2-methyl-1-(((3-pyridinylmethyl)amino)carbonyl)propyl)-5-phenyl-2-((phenylmethyl)amino)-, (1(S),4(S))-
- IUPAC
- benzyl N-[(2S)-1-[[(2S,3R,4R)-4-(benzylamino)-3-hydroxy-5-[[(2S)-3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]amino]-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
名称と別名
169438-15-7CHEMBL145677L-Lyxonamide, 2,4,5-trideoxy-4-((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-N-(2-methyl-1-(((3-pyridinylmethyl)amino)carbonyl)propyl)-5-phenyl-2-((phenylmethyl)amino)-, (1(S),4(S))-L-Lyxonamide, 2,4,5-trideoxy-4-[[3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-N-[2-methyl-1-[[(3-pyridinylmethyl)amino]carbonyl]propyl]-5-phenyl-2-[(phenylmethyl)amino]-, [1(S),4(S)]-DTXSID20168712BDBM50407672(2R,3S,4S)-N-[4-[[N-[(Benzyloxy)carbonyl]valyl]amino]-2-benzylamino-3-hydroxy-5-phenylpentanoyl]valine (3-pyridyl)methylamideBenzyl [(2S)-1-{[(2S,3R,4R)-4-(benzylamino)-3-hydroxy-5-{[(2S)-3-methyl-1-oxo-1-{[(pyridin-3-yl)methyl]amino}butan-2-yl]amino}-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamatebenzyl N-[(1S)-1-[[(1S,2R,3R)-1-benzyl-3-(benzylamino)-2-hydroxy-4-[[(1S)-2-methyl-1-(3-pyridylmethylcarbamoyl)propyl]amino]-4-oxo-butyl]carbamoyl]-2-methyl-propyl]carbamate
データベース識別子
- CAS
169438-15-7- PubChem CID
物性
構造計算による物性
- XLogP
- 5.1
- 極性表面積
- 171 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 8
- 回転可能結合数
- 20
- 重原子数
- 54
- 形式電荷
- 0
- 複雑度
- 1,140
関連反応
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