(2R,3R,4R)-1-[(2S)-2-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-3,3-dimethyl-butanoyl]-3-fluoro-4-hydroxy-N-[[4-(4-methylthiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
(2R,3R,4R)-1-[(2S)-2-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-3,3-dimethyl-butanoyl]-3-fluoro-4-hydroxy-N-[[4-(4-methylthiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide · CAS 2211116-28-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2R,3R,4R)-1-[(2S)-2-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-3,3-dimethyl-butanoyl]-3-fluoro-4-hydroxy-N-[[4-(4-methylthiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
- CAS
- 2211116-28-6
- CID
- 169549745
- IUPAC 名称
- 1-[2-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-3-fluoro-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (2R,3R,4R)-1-[(2S)-2-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-3,3-dimethyl-butanoyl]-3-fluoro-4-hydroxy-N-[[4-(4-methylthiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
- CAS
- 2211116-28-6
- CID
- 169549745
- IUPAC 名称
- 1-[2-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-3-fluoro-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
同一物质的其他登记号
同一化合物在 CAS 登记体系中可能有多个登记号，均属官方正式登记。以下 4 个编号（PubChem CID 169549745）指向同一物质，可逐一核对——编号写法不同，但化学结构相同。
- 2211116-28-6（当前页）
- 2211116-29-7(2R,3R,4R)-1-[(2S)-2-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-3,3-dimethyl-butanoyl]-3-fluoro-4-hydroxy-N-[[4-(4-methylthiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
- 2211116-30-0(2R,3R,4R)-1-[(2S)-2-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-3,3-dimethyl-butanoyl]-3-fluoro-4-hydroxy-N-[[4-(4-methylthiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
- 2211116-31-1(2R,3R,4R)-1-[(2S)-2-[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]acetyl]amino]-3,3-dimethyl-butanoyl]-3-fluoro-4-hydroxy-N-[[4-(4-methylthiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
分子属性
- 分子式
- C30H42FN7O7S
- 分子量
- 663.8 g/mol
- 精确质量
- 663.28504604 Da
- 单同位素质量
- 663.28504604 Da
- XLogP
- 2.9
- 极性表面积
- 182 Ų
- 氢键供体
- 3
- 氢键受体
- 12
- 可旋转键
- 18
- 重原子数
- 46
- 净电荷
- 0
- 结构复杂度
- 1040
结构标识
- InChIKey
- JMMUKZBMKMLFKK-UHFFFAOYSA-N
- SMILES
- CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3C(C(CN3C(=O)C(C(C)(C)C)NC(=O)COCCOCCOCCN=[N+]=[N-])O)F
- InChI
- InChI=1S/C30H42FN7O7S/c1-19-26(46-18-34-19)21-7-5-20(6-8-21)15-33-28(41)25-24(31)22(39)16-38(25)29(42)27(30(2,3)4)36-23(40)17-45-14-13-44-12-11-43-10-9-35-37-32/h5-8,18,22,24-25,27,39H,9-17H2,1-4H3,(H,33,41)(H,36,40)