methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate
基本情報
- 標準SMILES
COC(=O)C(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)NC(=O)OC(C)(C)C- InChIKey
WHGRXJGDURXZBN-UHFFFAOYSA-N- 分子式
- C24H24Cl2N2O4
- 平均分子量
- 475.4 g/mol
- 単同位体質量
- 474.1113126
概要
Methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate is a non-proteinogenic amino acid derivative that is methyl alaninate substituted by a tert-butoxycarbonyl group the primary amino group and by a 2-(2,6-dichlorophenyl)-6-quinolyl group at position 3. It is a carbamate ester, a dichlorobenzene, a methyl ester, a member of quinolines and a non-proteinogenic amino acid derivative. It contains a tert-butoxycarbonyl group.
名称と識別子
- 優先名称
- methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninate
- IUPAC
- methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
名称と別名
methyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alaninateMethyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate623144-13-8SCHEMBL3320795CHEBI:48491WHGRXJGDURXZBN-UHFFFAOYSA-Nmethyl 2-[(tert-butoxycarbonyl)amino]-3-[2-(2,6-dichlorophenyl)-6-quinolinyl]propanoateDA-41925Q271212402-[(tert-butoxycarbonyl)amino]-3-[2-(2,6-dichlorophenyl)-6-quinolinyl]propanoatemethyl N-(tert-butoxycarbonyl)-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate
データベース識別子
- PubChem CID
- 11248518
- ChEBI
CHEBI:48491
物性
構造計算による物性
- XLogP
- 6
- 極性表面積
- 77.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 8
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 646
関連反応
3 件
化合物ノート
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