([125I]-TYR)-GASTRIN I (HUMAN)

pro_cas
pro_cdbregno
CCD08021552
pro_formula
C97 H123 I N20 O31 S
pro_molWeight
2222.21

basic_info

Product_Name: ([125I]-TYR)-GASTRIN I (HUMAN)
EnglishSynonyms: ([125I]-TYR)-GASTRIN I (HUMAN)
pro_mdlNumber: MFCD00142416
pro_acceptors: 51
pro_donors: 26
pro_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(c(c1)[125I])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)NC(=O)[C@@H]7CCCN7C(=O)CNC(=O)[C@@H]8CCC(=O)N8
InChi: InChI=1S/C97H123IN20O31S/c1-48(2)37-67(115-95(147)70(42-53-45-101-58-18-11-9-16-55(53)58)117-97(149)72-19-12-35-118(72)76(122)47-103-85(137)59-21-28-74(120)105-59)93(145)111-64(26-33-81(131)132)91(143)110-63(25-32-80(129)130)90(142)109-62(24-31-79(127)128)89(141)108-61(23-30-78(125)126)88(140)107-60(22-29-77(123)124)87(139)104-49(3)84(136)114-68(40-51-20-27-73(119)56(98)38-51)86(138)102-46-75(121)106-69(41-52-44-100-57-17-10-8-15-54(52)57)94(146)112-65(34-36-150-4)92(144)116-71(43-82(133)134)96(148)113-66(83(99)135)39-50-13-6-5-7-14-50/h5-11,13-18,20,27,38,44-45,48-49,59-72,100-101,119H,12,19,21-26,28-37,39-43,46-47H2,1-4H3,(H2,99,135)(H,102,138)(H,103,137)(H,104,139)(H,105,120)(H,106,121)(H,107,140)(H,108,141)(H,109,142)(H,110,143)(H,111,145)(H,112,146)(H,113,148)(H,114,136)(H,115,147)(H,116,144)(H,117,149)(H,123,124)(H,125,126)(H,127,128)(H,129,130)(H,131,132)(H,133,134)/t49-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1/i98-2
InChiKey: InChIKey=VPHIWXXFKJLWKM-DCKDMKPKSA-N

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