DBCO-PEG4-Ahx-DM1
DBCO-PEG4-Ahx-DM1 · CAS 2479378-44-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- DBCO-PEG4-Ahx-DM1
- CAS
- 2479378-44-2
- CID
- 146047151
- IUPAC 名称
- [(2R,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[6-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl-methylamino]propanoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- DBCO-PEG4-Ahx-DM1
- CAS
- 2479378-44-2
- CID
- 146047151
- IUPAC 名称
- [(2R,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[6-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]hexanoyl-methylamino]propanoate
分子属性
- 分子式
- C68H89ClN6O17
- 分子量
- 1297.9 g/mol
- 精确质量
- 1296.5972731 Da
- 单同位素质量
- 1296.5972731 Da
- XLogP
- 3.5
- 极性表面积
- 272 Ų
- 氢键供体
- 4
- 氢键受体
- 17
- 可旋转键
- 30
- 重原子数
- 92
- 净电荷
- 0
- 结构复杂度
- 2580
结构标识
- InChIKey
- HAGWYLKCEZXKPL-GIYGEEODSA-N
- SMILES
- C[C@@H]1C2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4(C1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCCCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N5CC6=CC=CC=C6C#CC7=CC=CC=C75)C)\C)OC)(NC(=O)O2)O
- InChI
- InChI=1S/C68H89ClN6O17/c1-45-17-16-22-56(85-8)68(83)43-55(90-66(82)72-68)46(2)64-67(4,92-64)57(42-62(80)74(6)53-40-48(39-45)41-54(84-7)63(53)69)91-65(81)47(3)73(5)60(78)23-10-9-15-29-70-59(77)28-31-86-33-35-88-37-38-89-36-34-87-32-30-71-58(76)26-27-61(79)75-44-51-20-12-11-18-49(51)24-25-50-19-13-14-21-52(50)75/h11-14,16-22,40-41,46-47,55-57,64,83H,9-10,15,23,26-39,42-44H2,1-8H3,(H,70,77)(H,71,76)(H,72,82)/b22-16+,45-17+/t46-,47+,55?,56-,57+,64?,67+,68+/m1/s1