基本情報
- CAS
161277-30-1- 標準SMILES
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccc(Br)cc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C- InChIKey
HCYLBYFACDSHSV-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,2-(((4-bromophenyl)methyl)amino)-2,4,5-trideoxy-4-((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-N-(2-methyl-1-(((phenylmethyl)amino)carbonyl)propyl)-5-phenyl-, (1(S),4(S))-
- IUPAC
- benzyl N-[(2S)-1-[[(2S,3R,4R)-5-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-4-[(4-bromophenyl)methylamino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
名称と別名
161277-30-1L-Lyxonamide,2-(((4-bromophenyl)methyl)amino)-2,4,5-trideoxy-4-((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-N-(2-methyl-1-(((phenylmethyl)amino)carbonyl)propyl)-5-phenyl-, (1(S),4(S))-DTXSID70167098(2R,3S,4S)-N-(2-((4-Bromophenyl)methylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamideL-Lyxonamide,2-[[(4-bromophenyl)methyl]amino]-2,4,5-trideoxy-4-[[3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-N-[2-methyl-1-[[(phenylmethyl)amino]carbonyl]propyl]-5-phenyl-, [1(S),4(S)]-RefChem:350808DTXCID8089589Statine deriv. 18BDBM938CHEMBL318389(2R,3S,4S)-N-[2-[(4-Bromophenyl)methylamino]-4-[[N-[(benzyloxy)carbonyl]valyl]amino]-3-hydroxy-5- phenylpentanoyl]valine benzylamideBenzyl [(2S)-1-{[(2S,3R,4R)-5-{[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino}-4-{[(4-bromophenyl)methyl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate
名称をさらに表示
benzyl N-[(1S)-1-[[(1S,2R,3R)-1-benzyl-4-[[(1S)-1-(benzylcarbamoyl)-2-methyl-propyl]amino]-3-[(4-bromophenyl)methylamino]-2-hydroxy-4-oxo-butyl]carbamoyl]-2-methyl-propyl]carbamatebenzyl N-[(1S)-1-{[(2S,3R,4R)-4-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-4-{[(4-bromophenyl)methyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-2-methylpropyl]carbamate
データベース識別子
- CAS
161277-30-1- PubChem CID
- 460209
- DTXSID
DTXSID70167098- ChEMBL
CHEMBL318389
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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