(TRP)(LEU)(GLU)(GLU)(GLU)(GLU)(GLU)(ALA)(TYR)(GLY)(TRP)(MET)(ASP)(PHE)-NH2

CAS号
CCD编号
CCD00050582
分子式
C85 H109 N17 O27 S
分子量
1832.95

基本信息

产品名称: (TRP)(LEU)(GLU)(GLU)(GLU)(GLU)(GLU)(ALA)(TYR)(GLY)(TRP)(MET)(ASP)(PHE)-NH2
英文同义词: MINIGASTRIN ; WLEEEEEAYGWMDF-NH2 ; (TRP)(LEU)(GLU)(GLU)(GLU)(GLU)(GLU)(ALA)(TYR)(GLY)(TRP)(MET)(ASP)(PHE)-NH2
MDL号: MFCD00079951
氢键受体数量: 44
氢键供体数量: 24
Smile: CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)N)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)N
InChi: InChI=1S/C85H109N17O27S/c1-43(2)34-62(101-75(119)52(86)37-47-40-88-53-16-10-8-14-50(47)53)83(127)97-59(26-31-71(113)114)81(125)96-58(25-30-70(111)112)80(124)95-57(24-29-69(109)110)79(123)94-56(23-28-68(107)108)78(122)93-55(22-27-67(105)106)77(121)91-44(3)74(118)100-63(36-46-18-20-49(103)21-19-46)76(120)90-42-66(104)92-64(38-48-41-89-54-17-11-9-15-51(48)54)84(128)98-60(32-33-130-4)82(126)102-65(39-72(115)116)85(129)99-61(73(87)117)35-45-12-6-5-7-13-45/h5-21,40-41,43-44,52,55-65,88-89,103H,22-39,42,86H2,1-4H3,(H2,87,117)(H,90,120)(H,91,121)(H,92,104)(H,93,122)(H,94,123)(H,95,124)(H,96,125)(H,97,127)(H,98,128)(H,99,129)(H,100,118)(H,101,119)(H,102,126)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)/t44-,52-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-/m0/s1
InChiKey: InChIKey=SSBRJDBGIVUNDK-QOGDCIHTSA-N

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