基本情報
- CAS
162540-49-0- 標準SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(OCCn2ccnc2)cc1)NC(=O)OC(C)(C)C- InChIKey
MMKHYVMEYOSGDI-SYQUUIDJSA-N- 分子式
- C35H51N5O7
- 平均分子量
- 653.8 g/mol
- 単同位体質量
- 653.37884898
名称と識別子
- 優先名称
- 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-
- IUPAC
- tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-4-[4-(2-imidazol-1-ylethoxy)phenyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-1-phenylbutan-2-yl]carbamate
名称と別名
162540-49-012-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-DTXSID90167398(1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)butyl)amino)-2-hydroxy-1-(4-pyridinylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-[[4-[2-(1H-imidazol-1-yl)ethoxy]phenyl]methyl]-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-RefChem:236425DTXCID7089889BDBM670CHEMBL304231[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoxy)-carbonyl]amino]-2-hydroxy-4-[4-[2-(1H-imidazol-1-yl)ethoxy]phenyl]butyl]amino]-2-hydroxy-1-(4-pyridinylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl ester[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-hydroxy-4-[4-[2-(1H-imidazol-1-yl)ethoxy]phenyl]butyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl Estert-Butyl [(2S,3R)-4-{[(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-{4-[2-(1H-imidazol-1-yl)ethoxy]phenyl}butyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 156 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 9
- 回転可能結合数
- 20
- 重原子数
- 47
- 形式電荷
- 0
- 複雑度
- 913
関連反応
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