ethyl (2R,3R)-3-{[(2S)-4-methyl-1-oxo-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}pentan-2-yl]carbamoyl}oxirane-2-carboxylate
基本情報
- CAS
84518-80-9- 標準SMILES
CCOC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1- InChIKey
UCQXHOZNZSIQIO-CDNPAEQRSA-N- 分子式
- C26H39N3O8
- 平均分子量
- 521.6 g/mol
- 単同位体質量
- 521.27371521
名称と識別子
- 優先名称
- ethyl (2R,3R)-3-{[(2S)-4-methyl-1-oxo-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}pentan-2-yl]carbamoyl}oxirane-2-carboxylate
- IUPAC
- ethyl (2R,3R)-3-[[(2S)-4-methyl-1-oxo-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pentan-2-yl]carbamoyl]oxirane-2-carboxylate
名称と別名
84518-80-9SCHEMBL10859735UCQXHOZNZSIQIO-CDNPAEQRSA-NDTXSID301357097Oxiranecarboxylic acid, 3-[[[(1S)-3-methyl-1-[[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]carbonyl]butyl]amino]carbonyl]-, ethyl ester, (2R,3R)-ethyl (2R,3R)-3-{[(2S)-4-methyl-1-oxo-1-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}pentan-2-yl]carbamoyl}oxirane-2-carboxylateethyl (2R,3R)-3-[(s)-3-methyl-1-{4-(2,3,4-trimethoxyphenylmethyl)-piperazine-1-yl carbonyl}butylcarbamoyl]oxirane-2-carboxylateethyl (2R,3R)-3-[(s)-3-methyl-1-{4-(2,3,4-trimethoxyphenylmethyl)piperazine-1-yl carbonyl}butylcarbamoyl]oxirane-2-carboxylateethyl trans-3-[(s)-3-methyl-1-{4-(2,3,4-trimethoxyphenylmethyl)piperazine-1-yl carbonyl}butylcarbamoyl]-oxirane-2-carboxylateethyl trans-3-[(s)-3-methyl-1-{4-(2,3,4-trimethoxyphenylmethyl)piperazine-1-yl carbonyl}butylcarbamoyl]oxirane-2-carboxylate
データベース識別子
- CAS
84518-80-9- PubChem CID
- 6917749
- DTXSID
DTXSID301357097- Nikkaji
- J380.077F
物性
構造計算による物性
- XLogP
- 2
- 極性表面積
- 119 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 9
- 回転可能結合数
- 13
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 773
関連反応
4 件
化合物ノート
読み込み中…