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基本情報
- CAS
165315-30-0- 標準SMILES
CC(C)c1nc(CN(C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2ccno2)co1- InChIKey
VCKHPHWDYKCQKY-WQMHXLODSA-N- 分子式
- C35H44N6O7
- 平均分子量
- 660.8 g/mol
- 単同位体質量
- 660.32714776
名称と識別子
- 優先名称
- 2,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2,5-dimethyl-1-(2-(1-methylethyl)-4-oxazolyl)-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-isoxazolylmethyl ester, (5S-(5R*,8R*,10R*,11R*))-
- IUPAC
- 1,2-oxazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]carbamoyl]amino]propanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate
名称と別名
165315-30-02,4,7,12-Tetraazatridecan-13-oic acid, 10-hydroxy-2,5-dimethyl-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-2,5-dimethyl-1-[2-(1-methylethyl)-4-oxazolyl]-3,6-dioxo-8,11-bis(phenylmethyl)-, 5-isoxazolylmethyl ester, [5S-(5R*,8R*,10R*,11R*)]-SCHEMBL7173891DTXSID00167925VCKHPHWDYKCQKY-WQMHXLODSA-N(1,2-Oxazol-5-yl)methyl [(2S,3S,5S)-3-hydroxy-5-{[N-(methyl{[2-(propan-2-yl)-1,3-oxazol-4-yl]methyl}carbamoyl)-L-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate(2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino) carbonyl)-L-alaninyl)amino)-2-(N-((5-isoxazolyl)methoxycarbonyl) amino)-1,6-diphenyl-3-hydroxyhexane(2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-alaninyl)amino)-2-(N-((5-isoxazolyl)methoxycarbonyl)amino)-1,6-diphenyl-3-hydroxyhexane(2S,3S,5S)-5-(N-(N-((N-Methyl-N-((2-isopropyl-4-oxazolyl)methyl)amino)carbonyl)-L-alaninyl)amino)-2-(N-((5-isoxazolyl)methoxycarbonyl)amino)-1.6-diphenyl-3-hydroxyhexaneisoxazol-5-ylmethyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-4-[[(2S)-2-[[(2-isopropyloxazol-4-yl)methyl-methyl-carbamoyl]amino]propanoyl]amino]-5-phenyl-pentyl]carbamate
物性
構造計算による物性補完中
- XLogP
- 3.9
- 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
- 17
- 重原子数
- 48
- 形式電荷
- 0
- 複雑度
- 992
関連反応
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