基本信息 |
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产品名称: | ASP-TYR(SO3H)-THR-GLY-TRP-NLE-ASP-PHE-NH2 NH3 |
英文同义词: | SULFATED NONA CCK 26-33 ; ASP-TYR(SO3H)-THR-GLY-TRP-NLE-ASP-PHE-NH2 NH3 ; NONA CHOLECYSTOKININ 26-33, SULFATED |
MDL号: | MFCD00467125 |
氢键受体数量: | 27 |
氢键供体数量: | 14 |
Smile: | CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc2c[nH]c3c2cccc3)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc4ccc(cc4)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)N.N.N |
InChi: | InChI=1S/C49H62N10O17S.2H3N/c1-3-4-13-34(45(68)58-38(23-41(64)65)47(70)56-35(43(51)66)19-27-10-6-5-7-11-27)55-46(69)37(21-29-24-52-33-14-9-8-12-31(29)33)54-39(61)25-53-49(72)42(26(2)60)59-48(71)36(57-44(67)32(50)22-40(62)63)20-28-15-17-30(18-16-28)76-77(73,74)75;;/h5-12,14-18,24,26,32,34-38,42,52,60H,3-4,13,19-23,25,50H2,1-2H3,(H2,51,66)(H,53,72)(H,54,61)(H,55,69)(H,56,70)(H,57,67)(H,58,68)(H,59,71)(H,62,63)(H,64,65)(H,73,74,75);2*1H3/t26-,32+,34+,35+,36+,37+,38+,42+;;/m1../s1 |
InChiKey: | InChIKey=MILOGAMBTNGGJF-VOXYHMMJSA-N |
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