GP120-W61D-105_化学云数据库

GP120-W61D-105

基本信息
产品名称：	GP120-W61D-105
英文同义词：	TLPCRIKQIINMWQE ; GP120-W61D-105 ; H-THR-LEU-PRO-CYS-ARG-ILE-LYS-GLN-ILE-ILE-ASN-MET-TRP-GLN-GLU-OH
MDL号：	MFCD03790142
氢键受体数量：	45
氢键供体数量：	25
Smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)N
InChi：	InChI=1S/C83H137N23O22S2/c1-11-42(6)65(103-71(116)50(23-18-33-91-83(89)90)93-75(120)58(40-129)102-76(121)59-24-19-34-106(59)81(126)57(36-41(4)5)101-77(122)64(88)45(9)107)78(123)97-49(22-16-17-32-84)68(113)94-52(26-29-61(86)109)72(117)104-67(44(8)13-3)80(125)105-66(43(7)12-2)79(124)100-56(38-62(87)110)74(119)96-53(31-35-130-10)70(115)99-55(37-46-39-92-48-21-15-14-20-47(46)48)73(118)95-51(25-28-60(85)108)69(114)98-54(82(127)128)27-30-63(111)112/h14-15,20-21,39,41-45,49-59,64-67,92,107,129H,11-13,16-19,22-38,40,84,88H2,1-10H3,(H2,85,108)(H2,86,109)(H2,87,110)(H,93,120)(H,94,113)(H,95,118)(H,96,119)(H,97,123)(H,98,114)(H,99,115)(H,100,124)(H,101,122)(H,102,121)(H,103,116)(H,104,117)(H,105,125)(H,111,112)(H,127,128)(H4,89,90,91)/t42-,43-,44-,45+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-,65-,66-,67-/m0/s1
InChiKey：	InChIKey=JUIANMMKTMYORV-OARMDMOLSA-N

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