SIVMAC239-75_化学云数据库

SIVMAC239-75

基本信息
产品名称：	SIVMAC239-75
英文同义词：	YVDRFYKSLRAEQTD ; H-TYR-VAL-ASP-ARG-PHE-TYR-LYS-SER-LEU-ARG-ALA-GLU-GLN-THR-ASP-OH ; SIVMAC239-75
MDL号：	MFCD03790721
氢键受体数量：	50
氢键供体数量：	31
Smile：	CC(C)C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc3ccc(cc3)O)N
InChi：	InChI=1S/C84H127N23O27/c1-41(2)34-56(75(126)97-52(17-12-32-92-83(88)89)70(121)94-43(5)68(119)95-55(28-30-63(113)114)73(124)99-54(27-29-62(87)112)74(125)107-67(44(6)109)81(132)104-60(82(133)134)39-65(117)118)100-79(130)61(40-108)105-72(123)51(16-10-11-31-85)96-76(127)58(37-47-21-25-49(111)26-22-47)102-77(128)57(36-45-14-8-7-9-15-45)101-71(122)53(18-13-33-93-84(90)91)98-78(129)59(38-64(115)116)103-80(131)66(42(3)4)106-69(120)50(86)35-46-19-23-48(110)24-20-46/h7-9,14-15,19-26,41-44,50-61,66-67,108-111H,10-13,16-18,27-40,85-86H2,1-6H3,(H2,87,112)(H,94,121)(H,95,119)(H,96,127)(H,97,126)(H,98,129)(H,99,124)(H,100,130)(H,101,122)(H,102,128)(H,103,131)(H,104,132)(H,105,123)(H,106,120)(H,107,125)(H,113,114)(H,115,116)(H,117,118)(H,133,134)(H4,88,89,92)(H4,90,91,93)/t43-,44+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,66-,67-/m0/s1
InChiKey：	InChIKey=QJBMZXYMLKPITK-IWSKWHRHSA-N

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