基本情報
- CAS
132565-30-1- 標準SMILES
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O- InChIKey
OKLXJRBROSFVFX-RUPQPXQESA-N- 分子式
- C48H61N5O7
- 平均分子量
- 820 g/mol
- 単同位体質量
- 819.4570993
名称と識別子
- 優先名称
- L-Phenylalaninamide, N-(5-((2-(((1,1-dimethylethoxy)carbonyl)amino)-1-oxo-3-phenylpropyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-, (2R-(2R*,4S*,5S*(S*)))-
- IUPAC
- tert-butyl N-[(2S)-1-[[(2S,3S,5R)-6-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
名称と別名
Boc-Phe-CH2Ph-Leu-Phe-NH2132565-30-1L-Phenylalaninamide, N-(5-((2-(((1,1-dimethylethoxy)carbonyl)amino)-1-oxo-3-phenylpropyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-, (2R-(2R*,4S*,5S*(S*)))-6-Phenyl-5-(N-butyloxycarbonylphenylalaninylamino)-4-hydroxy-2-benzyl-1-(leucinylphenylalaninylamino)-hexanoneL-Phenylalaninamide, N-[5-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxo-3-phenylpropyl]amino]-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl]-L-leucyl-, [2R-[2R*,4S*,5S*(S*)]]-Hydroxyethylene deriv. 1BDBM750CHEMBL3143341DTXSID80157642tert-butyl N-[(1S)-1-{[(2S,3S,5R)-5-benzyl-5-{[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-hydroxy-1-phenylpentan-2-yl]carbamoyl}-2-phenylethyl]carbamateN-[(2R,4S,5S)-2-Benzyl-5-{[N-(tert-butoxycarbonyl)-L-phenylalanyl]amino}-4-hydroxy-6-phenylhexanoyl]-L-leucyl-L-phenylalaninamidetert-butyl N-[(1S)-2-[[(1S,2S,4R)-5-[[(1S)-1-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-1,4-dibenzyl-2-hydroxy-5-oxo-pentyl]amino]-1-benzyl-2-oxo-ethyl]carbamate
物性
構造計算による物性
- XLogP
- 7.3
- 極性表面積
- 189 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
- 23
- 重原子数
- 60
- 形式電荷
- 0
- 複雑度
- 1,330
関連反応
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