6-[2-Biotinylamidoethyl]-dithiopropionamido]-4,8-diaza-5,7-diketoundecanoic Acid, Bis-N-sulfosuccinimidyl Ester Disodium Salt
6-[2-Biotinylamidoethyl]-dithiopropionamido]-4,8-diaza-5,7-diketoundecanoic Acid, Bis-N-sulfosuccinimidyl Ester Disodium Salt · CAS 1044220-56-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 6-[2-Biotinylamidoethyl]-dithiopropionamido]-4,8-diaza-5,7-diketoundecanoic Acid, Bis-N-sulfosuccinimidyl Ester Disodium Salt
- CAS
- 1044220-56-5
- CID
- 46783563
- IUPAC 名称
- disodium;1-[3-[[2-[3-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyldisulfanyl]propanoylamino]-3-[[3-(2,5-dioxo-3-sulfonatopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-3-oxopropanoyl]amino]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 6-[2-Biotinylamidoethyl]-dithiopropionamido]-4,8-diaza-5,7-diketoundecanoic Acid, Bis-N-sulfosuccinimidyl Ester Disodium Salt
- CAS
- 1044220-56-5
- CID
- 46783563
- IUPAC 名称
- disodium;1-[3-[[2-[3-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyldisulfanyl]propanoylamino]-3-[[3-(2,5-dioxo-3-sulfonatopyrrolidin-1-yl)oxy-3-oxopropyl]amino]-3-oxopropanoyl]amino]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
分子属性
- 分子式
- C32H42N8Na2O19S5
- 分子量
- 1049 g/mol
- 精确质量
- 1048.0965156 Da
- 单同位素质量
- 1048.0965156 Da
- XLogP
- 暂无
- 极性表面积
- 492 Ų
- 氢键供体
- 6
- 氢键受体
- 22
- 可旋转键
- 27
- 重原子数
- 66
- 净电荷
- 0
- 结构复杂度
- 2010
结构标识
- InChIKey
- CGMFLQXVLGIMDB-FCUPWUOZSA-L
- SMILES
- C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCSSCCC(=O)NC(C(=O)NCCC(=O)ON3C(=O)CC(C3=O)S(=O)(=O)[O-])C(=O)NCCC(=O)ON4C(=O)CC(C4=O)S(=O)(=O)[O-])NC(=O)N2.[Na+].[Na+]
- InChI
- InChI=1S/C32H44N8O19S5.2Na/c41-20(4-2-1-3-17-26-16(15-60-17)36-32(51)38-26)33-10-12-62-61-11-7-21(42)37-27(28(47)34-8-5-24(45)58-39-22(43)13-18(30(39)49)63(52,53)54)29(48)35-9-6-25(46)59-40-23(44)14-19(31(40)50)64(55,56)57;;/h16-19,26-27H,1-15H2,(H,33,41)(H,34,47)(H,35,48)(H,37,42)(H2,36,38,51)(H,52,53,54)(H,55,56,57);;/q;2*+1/p-2/t16-,17-,18?,19?,26-,27?;;/m0../s1