L-Idonamide, 2,5,6-trideoxy-5-((3-(1H-imidazol-4-yl)-2-(((1-naphthalenyloxy)acetyl)amino)-1-oxopropyl)amino)-N-(2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)-6-phenyl-2-(phenylmethyl)-(1(1S,2S),5(S))-
基本情報
- CAS
134458-74-5- 標準SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)[C@@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)COc1cccc2ccccc12)C(=O)NCc1ccccn1- InChIKey
BTFJKHJHNJRRIB-QGFLVMJMSA-N- 分子式
- C49H55N7O7
- 平均分子量
- 854 g/mol
- 単同位体質量
- 853.41629712
名称と識別子
- 優先名称
- L-Idonamide, 2,5,6-trideoxy-5-((3-(1H-imidazol-4-yl)-2-(((1-naphthalenyloxy)acetyl)amino)-1-oxopropyl)amino)-N-(2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)-6-phenyl-2-(phenylmethyl)-(1(1S,2S),5(S))-
- IUPAC
- (2R,3R,4R,5S)-2-benzyl-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[(2-naphthalen-1-yloxyacetyl)amino]propanoyl]amino]-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-6-phenylhexanamide
名称と別名
134458-74-5L-Idonamide, 2,5,6-trideoxy-5-((3-(1H-imidazol-4-yl)-2-(((1-naphthalenyloxy)acetyl)amino)-1-oxopropyl)amino)-N-(2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)-6-phenyl-2-(phenylmethyl)-(1(1S,2S),5(S))-NOA-His-PPD-Ile-AmpCHEMBL48804DTXSID40158716BDBM50421891(2R,3R,4R,5S)-2-Benzyl-3,4-dihydroxy-5-[(2S)-3-(1H-imidazol-5-yl)-2-{2-[(naphthalen-1-yl)oxy]acetamido}propanamido]-N-[(2S,3S)-3-methyl-1-oxo-1-{[(pyridin-2-yl)methyl]amino}pentan-2-yl]-6-phenylhexanamide(2R,3R,4R,5S)-2-benzyl-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-4-yl)-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]-6-phenyl-hexanamide(2R,3R,4R,5S)-2-benzyl-3,4-dihydroxy-5-[[(2S)-3-(1H-imidazol-5-yl)-2-[[2-(1-naphthyloxy)acetyl]amino]propanoyl]amino]-N-[(1S,2S)-2-methyl-1-(2-pyridylmethylcarbamoyl)butyl]-6-phenyl-hexanamide1-Naphthoxyacetyl-L-histidyl-5S-amino-2R-benzyl-3R,4R-dihydroxy-6-phenyl-hexanoyl-L-isoleucyl-2-pyridylmethylamideL-Idonamide, 2,5,6-trideoxy-5-[[3-(1H-imidazol-4-yl)-2-[[(1-naphthalenyloxy)acetyl]amino]-1-oxopropyl]amino]-N-[2-methyl-1-[[(2-pyridinylmethyl)amino]carbonyl]butyl]-6-phenyl-2-(phenylmethyl)- [1(1S,2S),5(S)]-
物性
構造計算による物性
- XLogP
- 5.6
- 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
- 63
- 形式電荷
- 0
- 複雑度
- 1,410
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