基本情報
- CAS
165315-12-8- 標準SMILES
CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2ccno2)C(C)C)co1- InChIKey
XRJFETNDZMYTSA-XGKFQTDJSA-N- 分子式
- C37H48N6O7
- 平均分子量
- 688.8 g/mol
- 単同位体質量
- 688.35844788
名称と識別子
- 優先名称
- isoxazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropyloxazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate
- IUPAC
- 1,2-oxazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
名称と別名
165315-12-82,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-(2-(1-methylethyl)-4-oxazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-isoxazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2-methyl-5-(1-methylethyl)-1-[2-(1-methylethyl)-4-oxazolyl]-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-isoxazolylmethyl ester, [5S-(5R*,8R*,10R*,11R*)]-SCHEMBL7096210DTXSID70937071XRJFETNDZMYTSA-XGKFQTDJSA-NN-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-3-methyl-2-[[[methyl-[(2-propan-2-yl-4-oxazolyl)methyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]-1,6-diphenylhexan-2-yl]carbamic acid 5-isoxazolylmethyl esterisoxazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropyloxazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanoyl]amino]-5-phenyl-pentyl]carbamate(2S)-N-[(2S,4S,5S)-4-Hydroxy-5-({hydroxy[(1,2-oxazol-5-yl)methoxy]methylidene}amino)-1,6-diphenylhexan-2-yl]-2-{[hydroxy(methyl{[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}amino)methylidene]amino}-3-methylbutanimidic acid(2S,-3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)valinyl)amino)-2-(N-((5-isoxazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane
物性
構造計算による物性
- XLogP
- 4.8
- 極性表面積
- 172 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 9
- 回転可能結合数
- 18
- 重原子数
- 50
- 形式電荷
- 0
- 複雑度
- 1,040
関連反応
20 件
化合物ノート
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