基本情報
- CAS
162540-97-8- 標準SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccccc1O)NC(=O)OC(C)(C)C- InChIKey
WAQDMMDIFOJGCP-IHBRBHLJSA-N- 分子式
- C30H45N3O7
- 平均分子量
- 559.7 g/mol
- 単同位体質量
- 559.32575078
名称と識別子
- 優先名称
- 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((2-hydroxyphenyl)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-(2-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-1-phenylbutan-2-yl]carbamate
名称と別名
162540-97-812-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((2-hydroxyphenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-DTXSID40167404(1S-(1R,2S(2S,3R)))-(3-((3-(((1,1-Dimethylethoxy)-carbonyl)amino)-2-hydroxy-4-(2-hydroxyphenyl)butyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)carbamic Acid, 1,1-Dimethylethyl ester12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-[(2-hydroxyphenyl)methyl]-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, [3S-(3R*,4S*,8S*,9R*)]-RefChem:236423DTXCID1089895[1S-[1R*,2S*(2S*,3R*)]]-[3-[[3-[[(1,1-Dimethylethoxy)-carbonyl]amino]-2-hydroxy-4-(2-hydroxyphenyl)butyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl esterBDBM669CHEMBL59816tert-Butyl [(2S,3R)-4-{[(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-4-(2-hydroxyphenyl)butyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamatetert-butyl N-[(1S,2R)-1-benzyl-3-[[(2R,3S)-3-(tert-butoxycarbonylamino)-2-hydroxy-4-(2-hydroxyphenyl)butyl]amino]-2-hydroxy-propyl]carbamate
名称をさらに表示
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 149 Ų
- 水素結合供与体数
- 6
- 水素結合受容体数
- 8
- 回転可能結合数
- 16
- 重原子数
- 40
- 形式電荷
- 0
- 複雑度
- 761
関連反応
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