基本情報
- CAS
134483-83-3- 標準SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1- InChIKey
VFXBGUYEVNSPLY-CZSVRRKHSA-N- 分子式
- C43H59N7O7
- 平均分子量
- 786 g/mol
- 単同位体質量
- 785.44759725
名称と識別子
- 優先名称
- 1H-Imidazole-4-propanamide, N-(2,3-dihydroxy-6-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)heptyl)-alpha-(((1-naphthalenyloxy)acetyl)amino)-, (1S-(1R*(R*),2S*,3S*,4S*(1R*,2R*)))-
- IUPAC
- (2R,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-7-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-(2-methylpropyl)octanamide
名称と別名
134483-83-3CHEMBL487701H-Imidazole-4-propanamide, N-(2,3-dihydroxy-6-methyl-1-(2-methylpropyl)-4-(((2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)amino)carbonyl)heptyl)-alpha-(((1-naphthalenyloxy)acetyl)amino)-, (1S-(1R*(R*),2S*,3S*,4S*(1R*,2R*)))-DTXSID10158748NOA-His-(R,R,R)-LLd-Ile-AmpBDBM50000758(2R,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-4-yl)-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-2-isobutyl-7-methyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]octanamide(2R,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-2-isobutyl-7-methyl-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]octanamide(2R,3R,4R,5S)-3,4-Dihydroxy-7-methyl-N-[(2S,3S)-3-methyl-1-oxo-1-{[(pyridin-2-yl)methyl]amino}pentan-2-yl]-2-(2-methylpropyl)-5-[(N-{[(naphthalen-1-yl)oxy]acetyl}-L-histidyl)amino]octanamide1-Naphthoxyacetyl-L-histidyl-5S-amino-6-cyclohexyl-3R,4R-dihydroxy-2R-isobutyl-7-methyl-octanoyl-L-isoleucyl-2-pyridylmethylamide1H-Imidazole-4-propanamide, N-[2,3-dihydroxy-6-methyl-1-(2-methylpropyl)-4-[[[2-methyl-1-[[(2-pyridinylmethyl)amino]carbonyl]butyl]amino]carbonyl]heptyl]-.alpha.-[[(1-naphthalenyloxy)acetyl]amino]-, [1S-[1R*(R*),2S*,3S*,4S*(1R*,2R*)]]-
物性
構造計算による物性
- XLogP
- 5
- 極性表面積
- 208 Ų
- 水素結合供与体数
- 7
- 水素結合受容体数
- 9
- 回転可能結合数
- 22
- 重原子数
- 57
- 形式電荷
- 0
- 複雑度
- 1,260
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