GASTRIN DERIVED PEPTIDE

CAS号
CCD编号
CCD00824638
分子式
C98 H131 N21 O30 S
分子量
2115.3

基本信息

产品名称: GASTRIN DERIVED PEPTIDE
英文同义词: H-GLY-PRO-TRP-LEU-GLU-GLU-GLU-GLU-GLU-ALA-TYR-GLY-TRP-MET-ASP-PHE-LYS-NH2 ; GPWLEEEEEAYGWMDFK-NH2 ; GASTRIN DERIVED PEPTIDE
MDL号: MFCD09842361
氢键受体数量: 51
氢键供体数量: 27
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[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](Cc5c[nH]c6c5cccc6)NC(=O)[C@@H]7CCCN7C(=O)CN
InChi: InChI=1S/C98H131N21O30S/c1-51(2)41-69(115-96(147)73(45-56-49-103-61-20-11-9-18-59(56)61)118-98(149)75-22-14-39-119(75)77(122)47-100)93(144)112-67(31-36-82(131)132)91(142)111-66(30-35-81(129)130)90(141)110-65(29-34-80(127)128)89(140)109-64(28-33-79(125)126)88(139)108-63(27-32-78(123)124)87(138)105-52(3)85(136)114-70(43-54-23-25-57(120)26-24-54)86(137)104-50-76(121)106-72(44-55-48-102-60-19-10-8-17-58(55)60)95(146)113-68(37-40-150-4)92(143)117-74(46-83(133)134)97(148)116-71(42-53-15-6-5-7-16-53)94(145)107-62(84(101)135)21-12-13-38-99/h5-11,15-20,23-26,48-49,51-52,62-75,102-103,120H,12-14,21-22,27-47,50,99-100H2,1-4H3,(H2,101,135)(H,104,137)(H,105,138)(H,106,121)(H,107,145)(H,108,139)(H,109,140)(H,110,141)(H,111,142)(H,112,144)(H,113,146)(H,114,136)(H,115,147)(H,116,148)(H,117,143)(H,118,149)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)/t52-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-/m0/s1
InChiKey: InChIKey=FXPHIWILMMMTLU-CIAZAUPMSA-N

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