FIBULOSTATIN-6.2_化学云数据库

FIBULOSTATIN-6.2

基本信息
产品名称：	FIBULOSTATIN-6.2
英文同义词：	ASWSAC-SVSCGGGARQRTR ; FIBULOSTATIN-6.2 ; ALA-SER-TRP-SER-ALA-CYS-SER-VAL-SER-CYS-GLY-GLY-GLY-ALA-ARG-GLN-ARG-THR-ARG
MDL号：	MFCD11656189
氢键受体数量：	56
氢键供体数量：	36
Smile：	CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](CO)NC(=O)[C@H](C)N
InChi：	InChI=1S/C76H126N30O26S2/c1-33(2)56(105-69(127)49(30-110)101-70(128)51(32-134)103-60(118)36(5)93-66(124)46(27-107)100-65(123)45(22-38-23-88-40-13-8-7-12-39(38)40)98-67(125)47(28-108)99-58(116)34(3)77)71(129)102-48(29-109)68(126)104-50(31-133)61(119)91-25-54(114)89-24-53(113)90-26-55(115)92-35(4)59(117)94-41(14-9-19-85-74(79)80)62(120)96-43(17-18-52(78)112)63(121)95-42(15-10-20-86-75(81)82)64(122)106-57(37(6)111)72(130)97-44(73(131)132)16-11-21-87-76(83)84/h7-8,12-13,23,33-37,41-51,56-57,88,107-111,133-134H,9-11,14-22,24-32,77H2,1-6H3,(H2,78,112)(H,89,114)(H,90,113)(H,91,119)(H,92,115)(H,93,124)(H,94,117)(H,95,121)(H,96,120)(H,97,130)(H,98,125)(H,99,116)(H,100,123)(H,101,128)(H,102,129)(H,103,118)(H,104,126)(H,105,127)(H,106,122)(H,131,132)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t34-,35-,36-,37+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,56-,57-/m0/s1
InChiKey：	InChIKey=YTHZILPYSNFLCY-MVVXZXCJSA-N

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