基本情報
- CAS
175233-61-1- 標準SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(COC(=O)N2CCOCC2)cc1)NC(=O)OC(C)(C)C- InChIKey
DDHUVWKEFAMGRB-SYQUUIDJSA-N- 分子式
- C36H54N4O9
- 平均分子量
- 686.8 g/mol
- 単同位体質量
- 686.38907931
名称と識別子
- 優先名称
- 4-Morpholinecarboxylic acid, (4-(2-(((1,1-dimethylethoxy)carbonyl)amino)-4-((3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)amino)-3-hydroxybutyl)phenyl)methyl ester, (2R-(1(2S*,3R*),2R*,3S*))-
- IUPAC
- [4-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenyl]methyl morpholine-4-carboxylate
- 英語名
- [1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoxy)-carbonyl]amino]- 2-hydroxy-4-[4-[[(4-morpholinylcarbonyl)oxy]methyl]phenyl]butyl]amino] -2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl est er
- 分子式
- C36H54N4O9
- 分子量
- 686.84
名称と別名
175233-61-1DTXSID701699564-Morpholinecarboxylic acid, (4-(2-(((1,1-dimethylethoxy)carbonyl)amino)-4-((3-(((1,1-dimethylethoxy)carbonyl)amino)-2-hydroxy-4-phenylbutyl)amino)-3-hydroxybutyl)phenyl)methyl ester, (2R-(1(2S*,3R*),2R*,3S*))-(1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(4-(((4-morpholinylcarbonyl)oxy)methyl)phenyl)butyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester4-Morpholinecarboxylic acid, [4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[[3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-3-hydroxybutyl]phenyl]methyl ester, [2R-[1(2S*,3R*),2R*,3S*]]-RefChem:294843DTXCID6092447[4-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]phenyl]methyl morpholine-4-carboxylateBDBM686CHEMBL291773[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoxy)-carbonyl]amino]-2-hydroxy-4-[4-[[(4-morpholinylcarbonyl)oxy]methyl]phenyl]butyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl ester[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,10-Dimethylethoxy)carbonyl]amino]-2-hydroxy-4-[4-[[(4-morpholinyl-carbonyl)oxy]methyl]phenyl]butyl]amino]-2-
名称をさらに表示
Aids033307Aids-0333074-Morpholinecarboxylic acid, [4-[(2S,3R)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[[(2R,3S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-4-phenylbutyl]amino]-3-hydroxybutyl]phenyl]methyl ester[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoxy)-carbonyl]amino]- 2-hydroxy-4-[4-[[(4-morpholinylcarbonyl)oxy]methyl]phenyl]butyl]amino] -2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl est er
[4-[(2S,3R)-2-(tert-butoxycarbonylamino)-4-[[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-phenyl-butyl]amino]-3-hydroxy-butyl]phenyl]methyl morpholine-4-carboxylate{4-[(2S,3R)-2-[(tert-Butoxycarbonyl)amino]-4-({(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-phenylbutyl}amino)-3-hydroxybutyl]phenyl}methyl morpholine-4-carboxylate
データベース識別子
- CAS
175233-61-1- PubChem CID
- 463292
- DTXSID
DTXSID70169956- ChEMBL
CHEMBL291773
物性
構造計算による物性
- XLogP
- 3.3
- 極性表面積
- 168 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 10
- 回転可能結合数
- 19
- 重原子数
- 49
- 形式電荷
- 0
- 複雑度
- 997
物理化学的性質
- 沸点
- 829.62 · 829.620±65.00 °C(Press: 760.00 Torr)(predicted)
- 比重(密度)
- 1.195 · 1.195±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 酸解離定数(Pka)
- 11.846 · 11.846±0.46(predicted)
化学と産業
サプライヤー2 社
HONEST JOY HOLDINGS LIMITED[email protected]
CHEMICAL LAND21[email protected]
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