(2-(Cyclopentylamino)-6-[(2,2-diphenylethyl)amino]-9H-purin-9-yl]-1-deoxy-N-ethyl-beta-D-ribofuranuronamide
基本情報
- 標準SMILES
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NC4CCCC4)nc32)[C@H](O)[C@@H]1O- InChIKey
PXCULGMOGVUPCB-YRIIQKNPSA-N- 分子式
- C31H37N7O4
- 平均分子量
- 571.7 g/mol
- 単同位体質量
- 571.29070269
名称と識別子
- 優先名称
- (2-(Cyclopentylamino)-6-[(2,2-diphenylethyl)amino]-9H-purin-9-yl]-1-deoxy-N-ethyl-beta-D-ribofuranuronamide
- IUPAC
- (2S,3S,4R,5R)-5-[2-(cyclopentylamino)-6-(2,2-diphenylethylamino)purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
名称と別名
CHEMBL435188SCHEMBL8609426PXCULGMOGVUPCB-YRIIQKNPSA-NBDBM50085665(2-(Cyclopentylamino)-6-[(2,2-diphenylethyl)amino]-9H-purin-9-yl]-1-deoxy-N-ethyl-beta-D-ribofuranuronamide(2S,3S,4R,5R)-5-[2-Cyclopentylamino-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid ethylamide1-[2-(Cyclopentylamino)6-[(2,2-diphenylethyl)amino]-9H-purin-9-yl]-1-deoxy-N-ethyl-beta-D-ribofuranuronamide
データベース識別子
- PubChem CID
- 44352987
- ChEMBL
CHEMBL435188- Nikkaji
- J1.258.965D
物性
構造計算による物性
- XLogP
- 4.1
- 極性表面積
- 146 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
- 10
- 重原子数
- 42
- 形式電荷
- 0
- 複雑度
- 848
関連反応
2 件
化合物ノート
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