GHRELIN (1-18)

CAS号
CCD编号
CCD00949413
分子式
C96 H156 N30 O31
分子量
2226.47

基本信息

产品名称: GHRELIN (1-18)
英文同义词: GS-S(N-OCTANOYL)-FLSPEHQRVQQRKES ; GHRELIN (1-18) ; H-GLY-SER-SER(N-OCTANOYL)-PHE-LEU-SER-PRO-GLU-HIS-GLN-ARG-VAL-GLN-GLN-ARG-LYS-GLU-SER-OH
MDL号: MFCD10567274
氢键受体数量: 61
氢键供体数量: 34
Smile: CCCCCCCC(=O)OC[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CO)NC(=O)CN
InChi: InChI=1S/C96H156N30O31/c1-6-7-8-9-13-25-76(138)157-48-68(124-89(150)65(45-127)110-73(133)43-98)90(151)120-63(41-52-19-11-10-12-20-52)87(148)119-62(40-50(2)3)86(147)122-66(46-128)93(154)126-39-18-24-69(126)91(152)117-61(30-35-75(136)137)83(144)121-64(42-53-44-106-49-109-53)88(149)116-58(27-32-71(100)131)81(142)113-56(23-17-38-108-96(104)105)85(146)125-77(51(4)5)92(153)118-59(28-33-72(101)132)82(143)114-57(26-31-70(99)130)80(141)112-55(22-16-37-107-95(102)103)79(140)111-54(21-14-15-36-97)78(139)115-60(29-34-74(134)135)84(145)123-67(47-129)94(155)156/h10-12,19-20,44,49-51,54-69,77,127-129H,6-9,13-18,21-43,45-48,97-98H2,1-5H3,(H2,99,130)(H2,100,131)(H2,101,132)(H,106,109)(H,110,133)(H,111,140)(H,112,141)(H,113,142)(H,114,143)(H,115,139)(H,116,149)(H,117,152)(H,118,153)(H,119,148)(H,120,151)(H,121,144)(H,122,147)(H,123,145)(H,124,150)(H,125,146)(H,134,135)(H,136,137)(H,155,156)(H4,102,103,107)(H4,104,105,108)/t54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,77-/m0/s1
InChiKey: InChIKey=HLJHPFZURVFRAS-XCTOBWOYSA-N

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