基本情報
- CAS
98818-73-6- 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)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O- InChIKey
GYFHTEOWKRLODY-GPBZZYCGSA-N- 分子式
- C57H70N6O8
- 平均分子量
- 967.2 g/mol
- 単同位体質量
- 966.52551321
名称と識別子
- 優先名称
- Boc-Phe-Phe-CH2Ph-Leu-Phe-NH2
- IUPAC
- tert-butyl N-[(2S)-1-[[(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]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
名称と別名
Boc-Phe-Phe-CH2Ph-Leu-Phe-NH2L-364,5056-Phenyl-5-(N-butyloxycarbonylphenylalaninylphenylalaninylamino)-4-hydroxy-2-benzyl-1-(leucinylphenylalaninylamino)-hexanone98818-74-798818-73-6N'-(1,1-Dimethylethoxycarbonyl)-Phe-Phe-5(S)-amino-4(S)-hydroxy-6-phenyl-2-(S or R)-(phenylmethyl)hexanoyl-Leu-Me2EtOCOFF(5NH2-4OH-6Ph-2BzHexCO)LFamideBDBM749CHEMBL3143349L-Phenylalaninamide, N-(5-((N-(N-((1,1-dimethylethoxy)carbonyl)-L-phenylalanyl)-L-phenylalanyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-, (2R-(2R*,4S*,5S*))-L-Phenylalaninamide, N-(5-((N-(N-((1,1-dimethylethoxy)carbonyl)-L-phenylalanyl)-L-phenylalanyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-, (2S-(2R*,4R*,5R*))-tert-butyl N-[(1S)-1-{[(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]carbamoyl}-2-phenylethyl]carbamate
名称をさらに表示
L-Phenylalaninamide, N-[5(S)-[[N-[N-[(1,1-dimethylethoxy)carbonyl]-L-phenylalanyl]-L-phenylalanyl]amino]-4-(S)-hydroxy-1-oxo-6-phenyl-2(R)-(phenylmethyl)hexyl]-L-leucyl-tert-butyl N-[(1S)-2-[[(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]amino]-1-benzyl-2-oxo-ethyl]carbamate
物性
構造計算による物性
- XLogP
- 8.6
- 極性表面積
- 218 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 8
- 回転可能結合数
- 27
- 重原子数
- 71
- 形式電荷
- 0
- 複雑度
- 1,640
関連反応
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