GP120-W61D-87_化学云数据库

GP120-W61D-87

基本信息
产品名称：	GP120-W61D-87
英文同义词：	GP120-W61D-87 ; QWNNTLKQIVIKLRE ; H-GLN-TRP-ASN-ASN-THR-LEU-LYS-GLN-ILE-VAL-ILE-LYS-LEU-ARG-GLU-OH
MDL号：	MFCD03790124
氢键受体数量：	48
氢键供体数量：	28
Smile：	CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CCC(=O)N)N
InChi：	InChI=1S/C85H143N25O23/c1-12-44(9)67(81(129)100-52(24-17-19-33-87)73(121)103-56(35-41(3)4)75(123)98-53(25-20-34-95-85(93)94)72(120)101-55(84(132)133)28-31-65(116)117)109-80(128)66(43(7)8)107-82(130)68(45(10)13-2)108-74(122)54(27-30-62(90)113)99-71(119)51(23-16-18-32-86)97-76(124)57(36-42(5)6)106-83(131)69(46(11)111)110-79(127)60(39-64(92)115)105-78(126)59(38-63(91)114)104-77(125)58(102-70(118)49(88)26-29-61(89)112)37-47-40-96-50-22-15-14-21-48(47)50/h14-15,21-22,40-46,49,51-60,66-69,96,111H,12-13,16-20,23-39,86-88H2,1-11H3,(H2,89,112)(H2,90,113)(H2,91,114)(H2,92,115)(H,97,124)(H,98,123)(H,99,119)(H,100,129)(H,101,120)(H,102,118)(H,103,121)(H,104,125)(H,105,126)(H,106,131)(H,107,130)(H,108,122)(H,109,128)(H,110,127)(H,116,117)(H,132,133)(H4,93,94,95)/t44-,45-,46+,49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,66-,67-,68-,69-/m0/s1
InChiKey：	InChIKey=KZZGCXZFKWELTF-RSBDNDFZSA-N

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