分子结构:
CCD编号:CCD05327476
GA-NOTA-CYCLIC RGDYK
分子式:C47 H64 Ga N13 O14 S . C2 H F3 O2
分子量:1250.91
* If the product has intellectual property rights, a license granted is must or contact us.
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| 产品名称： | GA-NOTA-CYCLIC RGDYK |
| 英文同义词： | GA-NOTA-CYCLIC RGDYK |
| MDL号： | MFCD20134111 |
| 氢键受体数量： | 27 |
| 氢键供体数量： | 12 |
| Smile： | c1cc(ccc1CC2CN3CCN4CCN2CC(=O)O[Ga](OC(=O)C4)OC(=O)C3)NC(=S)NCCCC[C@H]5C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C(=O)N5)Cc6ccc(cc6)O)CC(=O)O)CCCNC(=N)N.C(=O)(C(F)(F)F)O |
| InChi： | InChI=1S/C47H67N13O14S.C2HF3O2.Ga/c48-46(49)50-15-3-5-33-42(71)52-23-37(62)54-36(22-38(63)64)45(74)57-35(21-29-8-12-32(61)13-9-29)44(73)56-34(43(72)55-33)4-1-2-14-51-47(75)53-30-10-6-28(7-11-30)20-31-24-59(26-40(67)68)17-16-58(25-39(65)66)18-19-60(31)27-41(69)70;3-2(4,5)1(6)7;/h6-13,31,33-36,61H,1-5,14-27H2,(H,52,71)(H,54,62)(H,55,72)(H,56,73)(H,57,74)(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H4,48,49,50)(H2,51,53,75);(H,6,7);/q;;+3/p-3/t31?,33-,34-,35+,36-;;/m0../s1 |
| InChiKey： | InChIKey=BJJBMNVSQDVLRO-ATHREVJMSA-K |
基本信息
* If the product has intellectual property rights, a license granted is must or contact us.
